USER MOD reduce.3.24.130724 H: found=0, std=0, add=1024, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1027 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 125 THR OG1 : rot 180:sc= -0.476 USER MOD Set 1.2: A 126 ASN : amide:sc= -0.719 K(o=-1.2,f=-4.2!) USER MOD Set 2.1: A 107 ASN :FLIP amide:sc= -4.94! C(o=-11!,f=-3.2!) USER MOD Set 2.2: A 109 THR OG1 : rot 89:sc= 1.77 USER MOD Set 3.1: A 69 ASN :FLIP amide:sc= -8.36! C(o=-16!,f=-12!) USER MOD Set 3.2: A 74 HIS : no HD1:sc= -0.417 K(o=-12,f=-13) USER MOD Set 3.3: A 97 GLN :FLIP amide:sc= -3.45! C(o=-16!,f=-12!) USER MOD Set 4.1: A 8 HIS : no HD1:sc= -4.14! C(o=-3.7!,f=-3.7!) USER MOD Set 4.2: A 34 THR OG1 : rot 41:sc= 0.393 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= -0.0814 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.00825) USER MOD Single : A 13 GLN : amide:sc= -0.226 X(o=-0.23,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 161:sc= -0.0284 (180deg=-0.286) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.00792 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.386 X(o=-0.39,f=-0.44) USER MOD Single : A 40 THR OG1 : rot 160:sc= -0.491 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0498 USER MOD Single : A 46 ASN :FLIP amide:sc= -0.131 F(o=-0.9,f=-0.13) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0537 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -118:sc= -0.0969 (180deg=-0.71) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.00037) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.06 F(o=-1.5!,f=-0.06) USER MOD Single : A 73 TYR OH : rot 80:sc= 0.16 USER MOD Single : A 76 THR OG1 : rot -70:sc= -0.298 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0172 USER MOD Single : A 91 ASN : amide:sc= -1.84! C(o=-1.8!,f=-4.4!) USER MOD Single : A 94 LYS NZ :NH3+ -152:sc= -0.0894 (180deg=-1.14) USER MOD Single : A 95 THR OG1 : rot -64:sc= -0.289 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= -0.0181 USER MOD Single : A 100 LYS NZ :NH3+ 162:sc= -0.0147 (180deg=-0.319) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0.45) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 150:sc= -0.491 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 110:sc= -3.1! USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 124 THR OG1 : rot 18:sc= -2.65! USER MOD Single : A 130 HIS : no HE2:sc= -11.9! C(o=-12!,f=-15!) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N LYS A 5 -14.128 10.137 3.587 1.00 0.00 N ATOM 51 CA LYS A 5 -13.980 9.285 2.410 1.00 0.00 C ATOM 52 C LYS A 5 -13.440 7.915 2.799 1.00 0.00 C ATOM 53 O LYS A 5 -12.478 7.805 3.557 1.00 0.00 O ATOM 54 CB LYS A 5 -13.040 9.942 1.395 1.00 0.00 C ATOM 55 CG LYS A 5 -13.595 11.311 0.998 1.00 0.00 C ATOM 56 CD LYS A 5 -13.565 11.446 -0.525 1.00 0.00 C ATOM 57 CE LYS A 5 -13.919 12.880 -0.921 1.00 0.00 C ATOM 58 NZ LYS A 5 -12.668 13.651 -1.166 1.00 0.00 N ATOM 0 HA LYS A 5 -14.964 9.157 1.958 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.044 10.052 1.824 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.939 9.309 0.513 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -14.615 11.423 1.364 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.003 12.103 1.457 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.576 11.187 -0.903 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -14.271 10.749 -0.976 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -14.539 12.878 -1.817 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.502 13.353 -0.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.908 14.626 -1.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.092 13.663 -0.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.129 13.203 -1.934 1.00 0.00 H new ATOM 72 N SER A 6 -14.070 6.870 2.274 1.00 0.00 N ATOM 73 CA SER A 6 -13.645 5.510 2.570 1.00 0.00 C ATOM 74 C SER A 6 -12.494 5.105 1.661 1.00 0.00 C ATOM 75 O SER A 6 -12.281 5.705 0.608 1.00 0.00 O ATOM 76 CB SER A 6 -14.807 4.540 2.375 1.00 0.00 C ATOM 77 OG SER A 6 -15.969 5.267 2.005 1.00 0.00 O ATOM 0 H SER A 6 -14.871 6.939 1.646 1.00 0.00 H new ATOM 0 HA SER A 6 -13.313 5.473 3.608 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.560 3.810 1.604 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.990 3.984 3.295 1.00 0.00 H new ATOM 0 HG SER A 6 -16.716 4.646 1.877 1.00 0.00 H new ATOM 83 N LEU A 7 -11.749 4.091 2.076 1.00 0.00 N ATOM 84 CA LEU A 7 -10.618 3.627 1.284 1.00 0.00 C ATOM 85 C LEU A 7 -11.024 3.395 -0.173 1.00 0.00 C ATOM 86 O LEU A 7 -10.524 4.064 -1.077 1.00 0.00 O ATOM 87 CB LEU A 7 -10.092 2.321 1.880 1.00 0.00 C ATOM 88 CG LEU A 7 -8.755 2.560 2.594 1.00 0.00 C ATOM 89 CD1 LEU A 7 -8.486 1.412 3.565 1.00 0.00 C ATOM 90 CD2 LEU A 7 -7.623 2.620 1.569 1.00 0.00 C ATOM 0 H LEU A 7 -11.903 3.579 2.945 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.842 4.392 1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.820 1.915 2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.963 1.580 1.091 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.804 3.503 3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.536 1.580 4.073 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.288 1.363 4.302 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.441 0.472 3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.676 2.790 2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.576 1.678 1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.808 3.435 0.870 1.00 0.00 H new ATOM 102 N HIS A 8 -11.935 2.450 -0.397 1.00 0.00 N ATOM 103 CA HIS A 8 -12.393 2.151 -1.753 1.00 0.00 C ATOM 104 C HIS A 8 -12.918 3.412 -2.420 1.00 0.00 C ATOM 105 O HIS A 8 -12.604 3.691 -3.577 1.00 0.00 O ATOM 106 CB HIS A 8 -13.495 1.097 -1.711 1.00 0.00 C ATOM 107 CG HIS A 8 -14.406 1.362 -0.541 1.00 0.00 C ATOM 108 ND1 HIS A 8 -15.604 2.046 -0.674 1.00 0.00 N ATOM 109 CD2 HIS A 8 -14.302 1.043 0.789 1.00 0.00 C ATOM 110 CE1 HIS A 8 -16.171 2.116 0.545 1.00 0.00 C ATOM 111 NE2 HIS A 8 -15.419 1.519 1.474 1.00 0.00 N ATOM 0 H HIS A 8 -12.367 1.884 0.333 1.00 0.00 H new ATOM 0 HA HIS A 8 -11.551 1.768 -2.329 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -14.065 1.116 -2.640 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -13.057 0.102 -1.626 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -13.480 0.505 1.237 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -17.117 2.596 0.747 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -15.619 1.431 2.470 1.00 0.00 H new ATOM 120 N GLU A 9 -13.715 4.176 -1.684 1.00 0.00 N ATOM 121 CA GLU A 9 -14.268 5.411 -2.222 1.00 0.00 C ATOM 122 C GLU A 9 -13.167 6.214 -2.901 1.00 0.00 C ATOM 123 O GLU A 9 -13.349 6.735 -4.000 1.00 0.00 O ATOM 124 CB GLU A 9 -14.897 6.236 -1.099 1.00 0.00 C ATOM 125 CG GLU A 9 -16.117 6.985 -1.637 1.00 0.00 C ATOM 126 CD GLU A 9 -17.276 6.014 -1.842 1.00 0.00 C ATOM 127 OE1 GLU A 9 -17.132 4.864 -1.460 1.00 0.00 O ATOM 128 OE2 GLU A 9 -18.288 6.435 -2.376 1.00 0.00 O ATOM 0 H GLU A 9 -13.990 3.966 -0.725 1.00 0.00 H new ATOM 0 HA GLU A 9 -15.038 5.167 -2.954 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -15.191 5.585 -0.276 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.169 6.943 -0.702 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -16.409 7.770 -0.940 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -15.869 7.472 -2.580 1.00 0.00 H new ATOM 135 N LYS A 10 -12.017 6.304 -2.244 1.00 0.00 N ATOM 136 CA LYS A 10 -10.889 7.041 -2.805 1.00 0.00 C ATOM 137 C LYS A 10 -10.360 6.331 -4.047 1.00 0.00 C ATOM 138 O LYS A 10 -10.234 6.933 -5.113 1.00 0.00 O ATOM 139 CB LYS A 10 -9.769 7.166 -1.763 1.00 0.00 C ATOM 140 CG LYS A 10 -8.617 8.017 -2.318 1.00 0.00 C ATOM 141 CD LYS A 10 -9.114 9.429 -2.637 1.00 0.00 C ATOM 142 CE LYS A 10 -7.983 10.433 -2.408 1.00 0.00 C ATOM 143 NZ LYS A 10 -8.239 11.651 -3.228 1.00 0.00 N ATOM 0 H LYS A 10 -11.841 5.882 -1.333 1.00 0.00 H new ATOM 0 HA LYS A 10 -11.230 8.038 -3.084 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.159 7.620 -0.852 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.402 6.176 -1.493 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.806 8.064 -1.591 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.212 7.553 -3.218 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.456 9.480 -3.671 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.968 9.677 -2.006 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.922 10.696 -1.352 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.026 9.990 -2.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.473 12.338 -3.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.277 11.390 -4.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.146 12.075 -2.946 1.00 0.00 H new ATOM 157 N LEU A 11 -10.051 5.045 -3.902 1.00 0.00 N ATOM 158 CA LEU A 11 -9.533 4.265 -5.023 1.00 0.00 C ATOM 159 C LEU A 11 -10.557 4.204 -6.145 1.00 0.00 C ATOM 160 O LEU A 11 -10.216 3.947 -7.300 1.00 0.00 O ATOM 161 CB LEU A 11 -9.192 2.845 -4.566 1.00 0.00 C ATOM 162 CG LEU A 11 -8.309 2.910 -3.318 1.00 0.00 C ATOM 163 CD1 LEU A 11 -7.934 1.494 -2.881 1.00 0.00 C ATOM 164 CD2 LEU A 11 -7.033 3.699 -3.628 1.00 0.00 C ATOM 0 H LEU A 11 -10.149 4.525 -3.030 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.630 4.752 -5.391 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.106 2.292 -4.350 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.676 2.309 -5.362 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.857 3.406 -2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.305 1.542 -1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.840 0.931 -2.655 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.389 0.998 -3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.407 3.743 -2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.486 3.206 -4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.297 4.711 -3.937 1.00 0.00 H new ATOM 176 N LYS A 12 -11.813 4.442 -5.798 1.00 0.00 N ATOM 177 CA LYS A 12 -12.881 4.410 -6.784 1.00 0.00 C ATOM 178 C LYS A 12 -13.044 5.775 -7.445 1.00 0.00 C ATOM 179 O LYS A 12 -13.441 5.868 -8.606 1.00 0.00 O ATOM 180 CB LYS A 12 -14.195 3.996 -6.122 1.00 0.00 C ATOM 181 CG LYS A 12 -14.302 2.472 -6.064 1.00 0.00 C ATOM 182 CD LYS A 12 -15.441 2.081 -5.120 1.00 0.00 C ATOM 183 CE LYS A 12 -15.507 0.559 -5.002 1.00 0.00 C ATOM 184 NZ LYS A 12 -16.171 -0.003 -6.214 1.00 0.00 N ATOM 0 H LYS A 12 -12.116 4.658 -4.848 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.619 3.680 -7.550 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -14.249 4.410 -5.115 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -15.037 4.406 -6.681 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.486 2.071 -7.061 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.362 2.043 -5.716 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -15.282 2.526 -4.138 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -16.388 2.468 -5.496 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -14.503 0.147 -4.900 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -16.060 0.276 -4.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -16.750 -0.824 -5.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -16.779 0.723 -6.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -15.448 -0.300 -6.900 1.00 0.00 H new ATOM 198 N GLN A 13 -12.735 6.832 -6.702 1.00 0.00 N ATOM 199 CA GLN A 13 -12.855 8.184 -7.235 1.00 0.00 C ATOM 200 C GLN A 13 -11.624 8.545 -8.061 1.00 0.00 C ATOM 201 O GLN A 13 -11.638 9.515 -8.819 1.00 0.00 O ATOM 202 CB GLN A 13 -13.016 9.184 -6.086 1.00 0.00 C ATOM 203 CG GLN A 13 -13.563 10.511 -6.622 1.00 0.00 C ATOM 204 CD GLN A 13 -13.926 11.431 -5.460 1.00 0.00 C ATOM 205 OE1 GLN A 13 -14.950 12.112 -5.505 1.00 0.00 O ATOM 206 NE2 GLN A 13 -13.145 11.489 -4.417 1.00 0.00 N ATOM 0 H GLN A 13 -12.403 6.781 -5.739 1.00 0.00 H new ATOM 0 HA GLN A 13 -13.734 8.226 -7.879 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -13.692 8.780 -5.333 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -12.055 9.347 -5.597 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -12.819 10.991 -7.258 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -14.442 10.329 -7.241 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.297 10.923 -4.383 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -13.382 12.100 -3.636 1.00 0.00 H new ATOM 215 N ASP A 14 -10.561 7.759 -7.908 1.00 0.00 N ATOM 216 CA ASP A 14 -9.323 8.003 -8.644 1.00 0.00 C ATOM 217 C ASP A 14 -9.132 6.962 -9.742 1.00 0.00 C ATOM 218 O ASP A 14 -9.272 5.762 -9.503 1.00 0.00 O ATOM 219 CB ASP A 14 -8.131 7.960 -7.689 1.00 0.00 C ATOM 220 CG ASP A 14 -7.676 9.377 -7.357 1.00 0.00 C ATOM 221 OD1 ASP A 14 -8.197 9.938 -6.407 1.00 0.00 O ATOM 222 OD2 ASP A 14 -6.815 9.881 -8.058 1.00 0.00 O ATOM 0 H ASP A 14 -10.531 6.952 -7.285 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.388 8.989 -9.103 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.406 7.434 -6.775 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.311 7.403 -8.143 1.00 0.00 H new ATOM 227 N LYS A 15 -8.812 7.428 -10.946 1.00 0.00 N ATOM 228 CA LYS A 15 -8.603 6.528 -12.075 1.00 0.00 C ATOM 229 C LYS A 15 -7.180 5.966 -12.063 1.00 0.00 C ATOM 230 O LYS A 15 -6.897 4.947 -12.691 1.00 0.00 O ATOM 231 CB LYS A 15 -8.853 7.275 -13.386 1.00 0.00 C ATOM 232 CG LYS A 15 -10.350 7.562 -13.549 1.00 0.00 C ATOM 233 CD LYS A 15 -10.841 6.971 -14.873 1.00 0.00 C ATOM 234 CE LYS A 15 -12.293 7.386 -15.109 1.00 0.00 C ATOM 235 NZ LYS A 15 -12.344 8.832 -15.462 1.00 0.00 N ATOM 0 H LYS A 15 -8.692 8.417 -11.164 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.304 5.698 -11.990 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.292 8.210 -13.394 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.495 6.681 -14.227 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.907 7.131 -12.717 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.529 8.637 -13.529 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.214 7.319 -15.694 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.761 5.884 -14.850 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -12.727 6.789 -15.911 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.886 7.198 -14.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -13.250 9.044 -15.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.257 9.404 -14.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.561 9.060 -16.108 1.00 0.00 H new ATOM 249 N ARG A 16 -6.291 6.636 -11.341 1.00 0.00 N ATOM 250 CA ARG A 16 -4.903 6.190 -11.249 1.00 0.00 C ATOM 251 C ARG A 16 -4.830 4.829 -10.565 1.00 0.00 C ATOM 252 O ARG A 16 -3.986 3.998 -10.903 1.00 0.00 O ATOM 253 CB ARG A 16 -4.080 7.210 -10.460 1.00 0.00 C ATOM 254 CG ARG A 16 -4.680 8.603 -10.653 1.00 0.00 C ATOM 255 CD ARG A 16 -3.686 9.653 -10.166 1.00 0.00 C ATOM 256 NE ARG A 16 -2.736 9.983 -11.224 1.00 0.00 N ATOM 257 CZ ARG A 16 -2.090 11.144 -11.233 1.00 0.00 C ATOM 258 NH1 ARG A 16 -2.304 12.019 -10.288 1.00 0.00 N ATOM 259 NH2 ARG A 16 -1.237 11.410 -12.186 1.00 0.00 N ATOM 0 H ARG A 16 -6.502 7.483 -10.814 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.496 6.101 -12.256 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.073 6.948 -9.402 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.044 7.198 -10.798 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.914 8.768 -11.705 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.616 8.688 -10.101 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.219 10.551 -9.854 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.152 9.280 -9.292 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.565 9.309 -11.971 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.968 11.812 -9.542 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.807 12.910 -10.296 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.067 10.726 -12.924 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.741 12.301 -12.193 1.00 0.00 H new ATOM 273 N PHE A 17 -5.719 4.609 -9.600 1.00 0.00 N ATOM 274 CA PHE A 17 -5.746 3.344 -8.865 1.00 0.00 C ATOM 275 C PHE A 17 -6.808 2.397 -9.422 1.00 0.00 C ATOM 276 O PHE A 17 -7.293 1.499 -8.725 1.00 0.00 O ATOM 277 CB PHE A 17 -6.008 3.612 -7.382 1.00 0.00 C ATOM 278 CG PHE A 17 -5.138 4.760 -6.913 1.00 0.00 C ATOM 279 CD1 PHE A 17 -3.749 4.714 -7.103 1.00 0.00 C ATOM 280 CD2 PHE A 17 -5.718 5.865 -6.275 1.00 0.00 C ATOM 281 CE1 PHE A 17 -2.948 5.774 -6.663 1.00 0.00 C ATOM 282 CE2 PHE A 17 -4.913 6.924 -5.836 1.00 0.00 C ATOM 283 CZ PHE A 17 -3.529 6.877 -6.026 1.00 0.00 C ATOM 0 H PHE A 17 -6.426 5.284 -9.309 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.775 2.863 -8.983 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -7.060 3.852 -7.225 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.794 2.718 -6.797 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.298 3.861 -7.588 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.786 5.900 -6.122 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.879 5.741 -6.815 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.362 7.778 -5.350 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.908 7.691 -5.682 1.00 0.00 H new ATOM 293 N SER A 18 -7.154 2.589 -10.687 1.00 0.00 N ATOM 294 CA SER A 18 -8.143 1.739 -11.333 1.00 0.00 C ATOM 295 C SER A 18 -7.638 0.301 -11.413 1.00 0.00 C ATOM 296 O SER A 18 -8.396 -0.654 -11.216 1.00 0.00 O ATOM 297 CB SER A 18 -8.422 2.258 -12.742 1.00 0.00 C ATOM 298 OG SER A 18 -9.080 1.250 -13.496 1.00 0.00 O ATOM 0 H SER A 18 -6.767 3.321 -11.283 1.00 0.00 H new ATOM 0 HA SER A 18 -9.060 1.759 -10.744 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.041 3.154 -12.695 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.488 2.540 -13.229 1.00 0.00 H new ATOM 0 HG SER A 18 -9.261 1.583 -14.400 1.00 0.00 H new ATOM 304 N THR A 19 -6.349 0.152 -11.703 1.00 0.00 N ATOM 305 CA THR A 19 -5.763 -1.177 -11.808 1.00 0.00 C ATOM 306 C THR A 19 -6.051 -1.977 -10.547 1.00 0.00 C ATOM 307 O THR A 19 -6.494 -3.127 -10.609 1.00 0.00 O ATOM 308 CB THR A 19 -4.253 -1.072 -12.022 1.00 0.00 C ATOM 309 OG1 THR A 19 -3.984 -0.096 -13.019 1.00 0.00 O ATOM 310 CG2 THR A 19 -3.710 -2.427 -12.470 1.00 0.00 C ATOM 0 H THR A 19 -5.701 0.922 -11.867 1.00 0.00 H new ATOM 0 HA THR A 19 -6.207 -1.688 -12.662 1.00 0.00 H new ATOM 0 HB THR A 19 -3.770 -0.779 -11.090 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.016 -0.026 -13.156 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.633 -2.355 -12.623 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.918 -3.174 -11.704 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.190 -2.721 -13.403 1.00 0.00 H new ATOM 318 N PHE A 20 -5.800 -1.356 -9.400 1.00 0.00 N ATOM 319 CA PHE A 20 -6.042 -2.012 -8.126 1.00 0.00 C ATOM 320 C PHE A 20 -7.484 -2.471 -8.042 1.00 0.00 C ATOM 321 O PHE A 20 -7.769 -3.597 -7.653 1.00 0.00 O ATOM 322 CB PHE A 20 -5.737 -1.058 -6.970 1.00 0.00 C ATOM 323 CG PHE A 20 -4.377 -1.379 -6.395 1.00 0.00 C ATOM 324 CD1 PHE A 20 -4.185 -1.388 -5.007 1.00 0.00 C ATOM 325 CD2 PHE A 20 -3.307 -1.662 -7.250 1.00 0.00 C ATOM 326 CE1 PHE A 20 -2.924 -1.681 -4.477 1.00 0.00 C ATOM 327 CE2 PHE A 20 -2.045 -1.957 -6.719 1.00 0.00 C ATOM 328 CZ PHE A 20 -1.854 -1.964 -5.333 1.00 0.00 C ATOM 0 H PHE A 20 -5.432 -0.407 -9.328 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.385 -2.879 -8.053 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.761 -0.026 -7.320 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.501 -1.150 -6.198 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.011 -1.169 -4.346 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.454 -1.653 -8.320 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.776 -1.689 -3.407 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.220 -2.179 -7.379 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.880 -2.188 -4.924 1.00 0.00 H new ATOM 338 N LEU A 21 -8.397 -1.594 -8.415 1.00 0.00 N ATOM 339 CA LEU A 21 -9.805 -1.939 -8.369 1.00 0.00 C ATOM 340 C LEU A 21 -10.065 -3.227 -9.143 1.00 0.00 C ATOM 341 O LEU A 21 -10.885 -4.053 -8.740 1.00 0.00 O ATOM 342 CB LEU A 21 -10.640 -0.799 -8.966 1.00 0.00 C ATOM 343 CG LEU A 21 -11.818 -0.473 -8.040 1.00 0.00 C ATOM 344 CD1 LEU A 21 -12.636 0.651 -8.647 1.00 0.00 C ATOM 345 CD2 LEU A 21 -12.704 -1.711 -7.867 1.00 0.00 C ATOM 0 H LEU A 21 -8.194 -0.652 -8.748 1.00 0.00 H new ATOM 0 HA LEU A 21 -10.092 -2.092 -7.329 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.018 0.086 -9.103 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.009 -1.084 -9.951 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.436 -0.167 -7.066 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.475 0.886 -7.991 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.009 1.535 -8.765 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.013 0.341 -9.622 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -13.539 -1.472 -7.208 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.087 -2.023 -8.839 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -12.118 -2.520 -7.431 1.00 0.00 H new ATOM 357 N SER A 22 -9.364 -3.392 -10.260 1.00 0.00 N ATOM 358 CA SER A 22 -9.550 -4.575 -11.095 1.00 0.00 C ATOM 359 C SER A 22 -9.015 -5.851 -10.445 1.00 0.00 C ATOM 360 O SER A 22 -9.748 -6.825 -10.274 1.00 0.00 O ATOM 361 CB SER A 22 -8.851 -4.371 -12.438 1.00 0.00 C ATOM 362 OG SER A 22 -9.516 -5.145 -13.426 1.00 0.00 O ATOM 0 H SER A 22 -8.669 -2.730 -10.606 1.00 0.00 H new ATOM 0 HA SER A 22 -10.624 -4.700 -11.231 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.864 -3.316 -12.713 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.805 -4.669 -12.367 1.00 0.00 H new ATOM 0 HG SER A 22 -9.075 -5.019 -14.292 1.00 0.00 H new ATOM 368 N LEU A 23 -7.737 -5.843 -10.105 1.00 0.00 N ATOM 369 CA LEU A 23 -7.102 -7.011 -9.503 1.00 0.00 C ATOM 370 C LEU A 23 -7.643 -7.292 -8.109 1.00 0.00 C ATOM 371 O LEU A 23 -7.851 -8.452 -7.743 1.00 0.00 O ATOM 372 CB LEU A 23 -5.582 -6.799 -9.429 1.00 0.00 C ATOM 373 CG LEU A 23 -5.274 -5.455 -8.743 1.00 0.00 C ATOM 374 CD1 LEU A 23 -4.942 -5.668 -7.263 1.00 0.00 C ATOM 375 CD2 LEU A 23 -4.077 -4.785 -9.421 1.00 0.00 C ATOM 0 H LEU A 23 -7.117 -5.044 -10.234 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.329 -7.871 -10.133 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.119 -7.615 -8.875 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.155 -6.812 -10.432 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.157 -4.821 -8.829 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.727 -4.707 -6.796 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.792 -6.133 -6.763 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.070 -6.317 -7.175 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.866 -3.835 -8.930 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.205 -5.435 -9.345 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.306 -4.607 -10.472 1.00 0.00 H new ATOM 387 N LEU A 24 -7.854 -6.241 -7.328 1.00 0.00 N ATOM 388 CA LEU A 24 -8.347 -6.423 -5.972 1.00 0.00 C ATOM 389 C LEU A 24 -9.774 -6.953 -5.995 1.00 0.00 C ATOM 390 O LEU A 24 -10.171 -7.724 -5.122 1.00 0.00 O ATOM 391 CB LEU A 24 -8.252 -5.107 -5.185 1.00 0.00 C ATOM 392 CG LEU A 24 -9.563 -4.302 -5.301 1.00 0.00 C ATOM 393 CD1 LEU A 24 -10.632 -4.815 -4.329 1.00 0.00 C ATOM 394 CD2 LEU A 24 -9.289 -2.849 -4.948 1.00 0.00 C ATOM 0 H LEU A 24 -7.695 -5.272 -7.604 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.723 -7.160 -5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.042 -5.320 -4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.420 -4.512 -5.562 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.924 -4.410 -6.324 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.540 -4.223 -4.441 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.851 -5.860 -4.548 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.266 -4.728 -3.306 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.212 -2.275 -5.028 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.911 -2.788 -3.928 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.547 -2.441 -5.635 1.00 0.00 H new ATOM 406 N GLU A 25 -10.541 -6.541 -6.991 1.00 0.00 N ATOM 407 CA GLU A 25 -11.917 -6.988 -7.104 1.00 0.00 C ATOM 408 C GLU A 25 -11.969 -8.447 -7.554 1.00 0.00 C ATOM 409 O GLU A 25 -12.840 -9.208 -7.136 1.00 0.00 O ATOM 410 CB GLU A 25 -12.645 -6.110 -8.115 1.00 0.00 C ATOM 411 CG GLU A 25 -13.997 -6.724 -8.448 1.00 0.00 C ATOM 412 CD GLU A 25 -14.989 -5.630 -8.837 1.00 0.00 C ATOM 413 OE1 GLU A 25 -15.658 -5.798 -9.843 1.00 0.00 O ATOM 414 OE2 GLU A 25 -15.061 -4.643 -8.125 1.00 0.00 O ATOM 0 H GLU A 25 -10.237 -5.903 -7.726 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.400 -6.909 -6.130 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.780 -5.107 -7.710 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.047 -6.010 -9.021 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.890 -7.436 -9.266 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.374 -7.279 -7.589 1.00 0.00 H new ATOM 421 N ALA A 26 -11.021 -8.832 -8.396 1.00 0.00 N ATOM 422 CA ALA A 26 -10.966 -10.204 -8.879 1.00 0.00 C ATOM 423 C ALA A 26 -10.677 -11.162 -7.726 1.00 0.00 C ATOM 424 O ALA A 26 -11.265 -12.239 -7.643 1.00 0.00 O ATOM 425 CB ALA A 26 -9.879 -10.336 -9.942 1.00 0.00 C ATOM 0 H ALA A 26 -10.287 -8.222 -8.756 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.932 -10.459 -9.316 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.843 -11.365 -10.300 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.102 -9.670 -10.775 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.914 -10.067 -9.511 1.00 0.00 H new ATOM 431 N ALA A 27 -9.770 -10.761 -6.834 1.00 0.00 N ATOM 432 CA ALA A 27 -9.415 -11.598 -5.688 1.00 0.00 C ATOM 433 C ALA A 27 -10.537 -11.578 -4.656 1.00 0.00 C ATOM 434 O ALA A 27 -10.549 -12.378 -3.718 1.00 0.00 O ATOM 435 CB ALA A 27 -8.113 -11.106 -5.051 1.00 0.00 C ATOM 0 H ALA A 27 -9.273 -9.872 -6.882 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.271 -12.620 -6.037 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.862 -11.739 -4.200 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.309 -11.151 -5.786 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.239 -10.077 -4.713 1.00 0.00 H new ATOM 441 N ASP A 28 -11.484 -10.657 -4.838 1.00 0.00 N ATOM 442 CA ASP A 28 -12.613 -10.535 -3.925 1.00 0.00 C ATOM 443 C ASP A 28 -12.192 -9.792 -2.659 1.00 0.00 C ATOM 444 O ASP A 28 -12.581 -10.169 -1.554 1.00 0.00 O ATOM 445 CB ASP A 28 -13.136 -11.927 -3.556 1.00 0.00 C ATOM 446 CG ASP A 28 -14.646 -11.881 -3.362 1.00 0.00 C ATOM 447 OD1 ASP A 28 -15.103 -12.317 -2.318 1.00 0.00 O ATOM 448 OD2 ASP A 28 -15.324 -11.412 -4.260 1.00 0.00 O ATOM 0 H ASP A 28 -11.489 -9.988 -5.608 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.404 -9.971 -4.419 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.883 -12.639 -4.341 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -12.654 -12.275 -2.643 1.00 0.00 H new ATOM 453 N LEU A 29 -11.385 -8.742 -2.820 1.00 0.00 N ATOM 454 CA LEU A 29 -10.919 -7.978 -1.661 1.00 0.00 C ATOM 455 C LEU A 29 -11.757 -6.724 -1.464 1.00 0.00 C ATOM 456 O LEU A 29 -11.692 -6.076 -0.422 1.00 0.00 O ATOM 457 CB LEU A 29 -9.440 -7.597 -1.808 1.00 0.00 C ATOM 458 CG LEU A 29 -8.526 -8.723 -1.287 1.00 0.00 C ATOM 459 CD1 LEU A 29 -8.380 -8.615 0.232 1.00 0.00 C ATOM 460 CD2 LEU A 29 -9.074 -10.113 -1.658 1.00 0.00 C ATOM 0 H LEU A 29 -11.046 -8.406 -3.721 1.00 0.00 H new ATOM 0 HA LEU A 29 -11.029 -8.616 -0.784 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.215 -7.396 -2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -9.241 -6.678 -1.257 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.551 -8.607 -1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.733 -9.414 0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.942 -7.650 0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.361 -8.704 0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -8.404 -10.882 -1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -10.064 -10.243 -1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -9.143 -10.199 -2.742 1.00 0.00 H new ATOM 472 N LYS A 30 -12.559 -6.416 -2.464 1.00 0.00 N ATOM 473 CA LYS A 30 -13.436 -5.269 -2.417 1.00 0.00 C ATOM 474 C LYS A 30 -14.260 -5.302 -1.134 1.00 0.00 C ATOM 475 O LYS A 30 -14.549 -4.263 -0.540 1.00 0.00 O ATOM 476 CB LYS A 30 -14.351 -5.267 -3.655 1.00 0.00 C ATOM 477 CG LYS A 30 -14.827 -6.693 -4.040 1.00 0.00 C ATOM 478 CD LYS A 30 -16.204 -6.942 -3.435 1.00 0.00 C ATOM 479 CE LYS A 30 -16.484 -8.445 -3.378 1.00 0.00 C ATOM 480 NZ LYS A 30 -17.932 -8.690 -3.629 1.00 0.00 N ATOM 0 H LYS A 30 -12.619 -6.954 -3.329 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.843 -4.354 -2.422 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -15.219 -4.637 -3.461 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.818 -4.825 -4.497 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.869 -6.795 -5.124 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -14.117 -7.437 -3.677 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.253 -6.516 -2.433 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.968 -6.443 -4.031 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.882 -8.966 -4.122 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.201 -8.842 -2.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -18.123 -9.712 -3.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -18.497 -8.204 -2.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -18.188 -8.325 -4.569 1.00 0.00 H new ATOM 494 N GLU A 31 -14.622 -6.500 -0.700 1.00 0.00 N ATOM 495 CA GLU A 31 -15.399 -6.634 0.524 1.00 0.00 C ATOM 496 C GLU A 31 -14.524 -6.296 1.719 1.00 0.00 C ATOM 497 O GLU A 31 -14.762 -5.328 2.428 1.00 0.00 O ATOM 498 CB GLU A 31 -15.940 -8.062 0.646 1.00 0.00 C ATOM 499 CG GLU A 31 -17.404 -8.105 0.195 1.00 0.00 C ATOM 500 CD GLU A 31 -18.303 -7.529 1.282 1.00 0.00 C ATOM 501 OE1 GLU A 31 -18.927 -6.509 1.031 1.00 0.00 O ATOM 502 OE2 GLU A 31 -18.362 -8.118 2.348 1.00 0.00 O ATOM 0 H GLU A 31 -14.396 -7.378 -1.166 1.00 0.00 H new ATOM 0 HA GLU A 31 -16.243 -5.945 0.495 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -15.343 -8.740 0.036 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.858 -8.405 1.678 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -17.525 -7.537 -0.727 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -17.696 -9.132 -0.023 1.00 0.00 H new ATOM 509 N LEU A 32 -13.489 -7.073 1.925 1.00 0.00 N ATOM 510 CA LEU A 32 -12.601 -6.807 3.022 1.00 0.00 C ATOM 511 C LEU A 32 -12.206 -5.329 3.023 1.00 0.00 C ATOM 512 O LEU A 32 -11.835 -4.770 4.050 1.00 0.00 O ATOM 513 CB LEU A 32 -11.377 -7.726 2.902 1.00 0.00 C ATOM 514 CG LEU A 32 -10.100 -7.009 3.367 1.00 0.00 C ATOM 515 CD1 LEU A 32 -9.055 -8.013 3.799 1.00 0.00 C ATOM 516 CD2 LEU A 32 -9.460 -6.195 2.278 1.00 0.00 C ATOM 0 H LEU A 32 -13.245 -7.883 1.355 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.095 -7.013 3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.532 -8.624 3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.261 -8.049 1.867 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.415 -6.360 4.184 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.158 -7.487 4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.444 -8.612 4.623 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.809 -8.665 2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.563 -5.712 2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.192 -6.847 1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.161 -5.435 1.932 1.00 0.00 H new ATOM 528 N LEU A 33 -12.280 -4.694 1.872 1.00 0.00 N ATOM 529 CA LEU A 33 -11.903 -3.294 1.778 1.00 0.00 C ATOM 530 C LEU A 33 -12.962 -2.381 2.369 1.00 0.00 C ATOM 531 O LEU A 33 -12.649 -1.461 3.122 1.00 0.00 O ATOM 532 CB LEU A 33 -11.694 -2.925 0.315 1.00 0.00 C ATOM 533 CG LEU A 33 -10.259 -2.459 0.088 1.00 0.00 C ATOM 534 CD1 LEU A 33 -9.955 -1.249 0.960 1.00 0.00 C ATOM 535 CD2 LEU A 33 -9.268 -3.570 0.387 1.00 0.00 C ATOM 0 H LEU A 33 -12.593 -5.116 0.998 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.983 -3.159 2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.909 -3.785 -0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.390 -2.136 0.029 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.158 -2.182 -0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.928 -0.926 0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.638 -0.438 0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.081 -1.516 2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.254 -3.209 0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.372 -3.881 1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.465 -4.419 -0.267 1.00 0.00 H new ATOM 547 N THR A 34 -14.210 -2.635 2.025 1.00 0.00 N ATOM 548 CA THR A 34 -15.296 -1.823 2.529 1.00 0.00 C ATOM 549 C THR A 34 -15.550 -2.145 3.985 1.00 0.00 C ATOM 550 O THR A 34 -16.367 -1.502 4.637 1.00 0.00 O ATOM 551 CB THR A 34 -16.557 -2.065 1.701 1.00 0.00 C ATOM 552 OG1 THR A 34 -17.413 -0.940 1.806 1.00 0.00 O ATOM 553 CG2 THR A 34 -17.286 -3.309 2.204 1.00 0.00 C ATOM 0 H THR A 34 -14.494 -3.392 1.403 1.00 0.00 H new ATOM 0 HA THR A 34 -15.022 -0.771 2.448 1.00 0.00 H new ATOM 0 HB THR A 34 -16.275 -2.216 0.659 1.00 0.00 H new ATOM 0 HG1 THR A 34 -16.880 -0.119 1.765 1.00 0.00 H new ATOM 0 HG21 THR A 34 -18.183 -3.472 1.607 1.00 0.00 H new ATOM 0 HG22 THR A 34 -16.630 -4.175 2.117 1.00 0.00 H new ATOM 0 HG23 THR A 34 -17.566 -3.169 3.248 1.00 0.00 H new ATOM 561 N GLN A 35 -14.860 -3.157 4.497 1.00 0.00 N ATOM 562 CA GLN A 35 -15.073 -3.540 5.890 1.00 0.00 C ATOM 563 C GLN A 35 -14.698 -2.397 6.842 1.00 0.00 C ATOM 564 O GLN A 35 -13.828 -1.588 6.533 1.00 0.00 O ATOM 565 CB GLN A 35 -14.255 -4.783 6.254 1.00 0.00 C ATOM 566 CG GLN A 35 -14.904 -6.044 5.670 1.00 0.00 C ATOM 567 CD GLN A 35 -16.305 -6.251 6.223 1.00 0.00 C ATOM 568 OE1 GLN A 35 -16.482 -6.529 7.408 1.00 0.00 O ATOM 569 NE2 GLN A 35 -17.319 -6.117 5.414 1.00 0.00 N ATOM 0 H GLN A 35 -14.170 -3.712 3.990 1.00 0.00 H new ATOM 0 HA GLN A 35 -16.134 -3.765 6.000 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.239 -4.681 5.874 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -14.182 -4.873 7.338 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.948 -5.963 4.584 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -14.288 -6.913 5.901 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -17.162 -5.886 4.433 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -18.269 -6.243 5.762 1.00 0.00 H new ATOM 578 N PRO A 36 -15.336 -2.315 7.995 1.00 0.00 N ATOM 579 CA PRO A 36 -15.030 -1.248 8.992 1.00 0.00 C ATOM 580 C PRO A 36 -13.835 -1.601 9.869 1.00 0.00 C ATOM 581 O PRO A 36 -13.921 -2.478 10.731 1.00 0.00 O ATOM 582 CB PRO A 36 -16.301 -1.184 9.828 1.00 0.00 C ATOM 583 CG PRO A 36 -16.839 -2.578 9.823 1.00 0.00 C ATOM 584 CD PRO A 36 -16.410 -3.209 8.490 1.00 0.00 C ATOM 0 HA PRO A 36 -14.763 -0.304 8.516 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -16.089 -0.847 10.843 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -17.018 -0.483 9.402 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -16.447 -3.148 10.665 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.925 -2.575 9.918 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -16.048 -4.228 8.630 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -17.242 -3.260 7.787 1.00 0.00 H new ATOM 592 N GLY A 37 -12.723 -0.912 9.652 1.00 0.00 N ATOM 593 CA GLY A 37 -11.527 -1.168 10.438 1.00 0.00 C ATOM 594 C GLY A 37 -10.421 -0.206 10.040 1.00 0.00 C ATOM 595 O GLY A 37 -10.443 0.340 8.945 1.00 0.00 O ATOM 0 H GLY A 37 -12.625 -0.181 8.947 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.750 -1.058 11.499 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.197 -2.196 10.287 1.00 0.00 H new ATOM 599 N ASP A 38 -9.463 -0.007 10.936 1.00 0.00 N ATOM 600 CA ASP A 38 -8.348 0.898 10.666 1.00 0.00 C ATOM 601 C ASP A 38 -7.090 0.112 10.313 1.00 0.00 C ATOM 602 O ASP A 38 -6.556 -0.628 11.138 1.00 0.00 O ATOM 603 CB ASP A 38 -8.069 1.768 11.894 1.00 0.00 C ATOM 604 CG ASP A 38 -8.974 1.346 13.044 1.00 0.00 C ATOM 605 OD1 ASP A 38 -9.922 2.063 13.319 1.00 0.00 O ATOM 606 OD2 ASP A 38 -8.708 0.312 13.631 1.00 0.00 O ATOM 0 H ASP A 38 -9.433 -0.456 11.851 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.621 1.531 9.822 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.024 1.673 12.188 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.238 2.818 11.653 1.00 0.00 H new ATOM 611 N TRP A 39 -6.617 0.283 9.083 1.00 0.00 N ATOM 612 CA TRP A 39 -5.419 -0.413 8.631 1.00 0.00 C ATOM 613 C TRP A 39 -4.601 0.485 7.710 1.00 0.00 C ATOM 614 O TRP A 39 -5.071 1.537 7.278 1.00 0.00 O ATOM 615 CB TRP A 39 -5.799 -1.689 7.880 1.00 0.00 C ATOM 616 CG TRP A 39 -7.229 -2.037 8.141 1.00 0.00 C ATOM 617 CD1 TRP A 39 -7.720 -2.499 9.314 1.00 0.00 C ATOM 618 CD2 TRP A 39 -8.355 -1.975 7.220 1.00 0.00 C ATOM 619 NE1 TRP A 39 -9.081 -2.708 9.175 1.00 0.00 N ATOM 620 CE2 TRP A 39 -9.519 -2.399 7.902 1.00 0.00 C ATOM 621 CE3 TRP A 39 -8.478 -1.586 5.875 1.00 0.00 C ATOM 622 CZ2 TRP A 39 -10.760 -2.443 7.270 1.00 0.00 C ATOM 623 CZ3 TRP A 39 -9.727 -1.632 5.235 1.00 0.00 C ATOM 624 CH2 TRP A 39 -10.866 -2.054 5.932 1.00 0.00 C ATOM 0 H TRP A 39 -7.042 0.894 8.385 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.824 -0.672 9.507 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.640 -1.551 6.810 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -5.154 -2.510 8.194 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.145 -2.676 10.211 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -9.687 -3.049 9.922 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -7.608 -1.250 5.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -11.634 -2.775 7.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -9.810 -1.340 4.199 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -11.825 -2.079 5.436 1.00 0.00 H new ATOM 635 N THR A 40 -3.377 0.057 7.412 1.00 0.00 N ATOM 636 CA THR A 40 -2.502 0.827 6.535 1.00 0.00 C ATOM 637 C THR A 40 -2.616 0.324 5.110 1.00 0.00 C ATOM 638 O THR A 40 -2.508 -0.876 4.861 1.00 0.00 O ATOM 639 CB THR A 40 -1.049 0.702 6.978 1.00 0.00 C ATOM 640 OG1 THR A 40 -0.933 1.100 8.333 1.00 0.00 O ATOM 641 CG2 THR A 40 -0.167 1.593 6.099 1.00 0.00 C ATOM 0 H THR A 40 -2.972 -0.811 7.762 1.00 0.00 H new ATOM 0 HA THR A 40 -2.810 1.871 6.589 1.00 0.00 H new ATOM 0 HB THR A 40 -0.725 -0.334 6.878 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.108 0.731 8.713 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.872 1.503 6.416 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.257 1.281 5.059 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.487 2.630 6.195 1.00 0.00 H new ATOM 649 N LEU A 41 -2.833 1.242 4.173 1.00 0.00 N ATOM 650 CA LEU A 41 -2.960 0.856 2.773 1.00 0.00 C ATOM 651 C LEU A 41 -1.837 1.447 1.934 1.00 0.00 C ATOM 652 O LEU A 41 -1.697 2.667 1.824 1.00 0.00 O ATOM 653 CB LEU A 41 -4.325 1.320 2.244 1.00 0.00 C ATOM 654 CG LEU A 41 -4.523 0.995 0.741 1.00 0.00 C ATOM 655 CD1 LEU A 41 -3.786 1.985 -0.161 1.00 0.00 C ATOM 656 CD2 LEU A 41 -4.033 -0.409 0.406 1.00 0.00 C ATOM 0 H LEU A 41 -2.923 2.242 4.353 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.888 -0.229 2.700 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.116 0.843 2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.423 2.395 2.396 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.595 1.068 0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.952 1.719 -1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.161 2.992 0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.718 1.950 0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.187 -0.604 -0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.971 -0.489 0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.590 -1.139 0.994 1.00 0.00 H new ATOM 668 N PHE A 42 -1.055 0.561 1.329 1.00 0.00 N ATOM 669 CA PHE A 42 0.047 0.978 0.473 1.00 0.00 C ATOM 670 C PHE A 42 -0.346 0.801 -0.986 1.00 0.00 C ATOM 671 O PHE A 42 -0.372 -0.321 -1.492 1.00 0.00 O ATOM 672 CB PHE A 42 1.302 0.155 0.769 1.00 0.00 C ATOM 673 CG PHE A 42 2.302 1.022 1.494 1.00 0.00 C ATOM 674 CD1 PHE A 42 1.921 1.727 2.643 1.00 0.00 C ATOM 675 CD2 PHE A 42 3.612 1.125 1.012 1.00 0.00 C ATOM 676 CE1 PHE A 42 2.852 2.535 3.309 1.00 0.00 C ATOM 677 CE2 PHE A 42 4.541 1.930 1.678 1.00 0.00 C ATOM 678 CZ PHE A 42 4.162 2.635 2.826 1.00 0.00 C ATOM 0 H PHE A 42 -1.164 -0.449 1.416 1.00 0.00 H new ATOM 0 HA PHE A 42 0.264 2.028 0.671 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.047 -0.714 1.376 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.733 -0.220 -0.159 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.910 1.648 3.015 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.905 0.582 0.125 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.559 3.080 4.194 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.552 2.008 1.306 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.881 3.257 3.340 1.00 0.00 H new ATOM 688 N VAL A 43 -0.661 1.911 -1.649 1.00 0.00 N ATOM 689 CA VAL A 43 -1.074 1.867 -3.049 1.00 0.00 C ATOM 690 C VAL A 43 -0.054 2.565 -3.946 1.00 0.00 C ATOM 691 O VAL A 43 0.106 3.784 -3.867 1.00 0.00 O ATOM 692 CB VAL A 43 -2.435 2.541 -3.226 1.00 0.00 C ATOM 693 CG1 VAL A 43 -2.518 3.835 -2.413 1.00 0.00 C ATOM 694 CG2 VAL A 43 -2.659 2.847 -4.707 1.00 0.00 C ATOM 0 H VAL A 43 -0.639 2.846 -1.243 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.143 0.818 -3.338 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.208 1.863 -2.865 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.496 4.293 -2.557 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.375 3.610 -1.356 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.742 4.524 -2.746 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.629 3.328 -4.837 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.873 3.513 -5.064 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.635 1.919 -5.278 1.00 0.00 H new ATOM 704 N PRO A 44 0.639 1.844 -4.799 1.00 0.00 N ATOM 705 CA PRO A 44 1.642 2.442 -5.716 1.00 0.00 C ATOM 706 C PRO A 44 1.000 2.998 -6.986 1.00 0.00 C ATOM 707 O PRO A 44 -0.100 2.593 -7.362 1.00 0.00 O ATOM 708 CB PRO A 44 2.551 1.267 -6.051 1.00 0.00 C ATOM 709 CG PRO A 44 1.678 0.062 -5.983 1.00 0.00 C ATOM 710 CD PRO A 44 0.553 0.384 -4.998 1.00 0.00 C ATOM 0 HA PRO A 44 2.162 3.287 -5.264 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.990 1.379 -7.043 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.377 1.195 -5.343 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.273 -0.178 -6.966 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.245 -0.808 -5.651 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.419 0.095 -5.398 1.00 0.00 H new ATOM 0 HD3 PRO A 44 0.683 -0.153 -4.058 1.00 0.00 H new ATOM 718 N THR A 45 1.689 3.926 -7.648 1.00 0.00 N ATOM 719 CA THR A 45 1.164 4.521 -8.874 1.00 0.00 C ATOM 720 C THR A 45 1.702 3.791 -10.101 1.00 0.00 C ATOM 721 O THR A 45 2.584 2.942 -9.993 1.00 0.00 O ATOM 722 CB THR A 45 1.553 5.995 -8.941 1.00 0.00 C ATOM 723 OG1 THR A 45 2.893 6.149 -8.492 1.00 0.00 O ATOM 724 CG2 THR A 45 0.615 6.799 -8.048 1.00 0.00 C ATOM 0 H THR A 45 2.602 4.279 -7.360 1.00 0.00 H new ATOM 0 HA THR A 45 0.078 4.431 -8.864 1.00 0.00 H new ATOM 0 HB THR A 45 1.474 6.353 -9.967 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.146 7.095 -8.535 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.887 7.854 -8.091 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.411 6.675 -8.393 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.698 6.444 -7.021 1.00 0.00 H new ATOM 732 N ASN A 46 1.163 4.127 -11.270 1.00 0.00 N ATOM 733 CA ASN A 46 1.600 3.495 -12.510 1.00 0.00 C ATOM 734 C ASN A 46 3.122 3.529 -12.623 1.00 0.00 C ATOM 735 O ASN A 46 3.734 2.613 -13.175 1.00 0.00 O ATOM 736 CB ASN A 46 0.979 4.215 -13.708 1.00 0.00 C ATOM 737 CG ASN A 46 2.023 4.396 -14.805 1.00 0.00 C ATOM 738 OD1 ASN A 46 2.853 5.402 -14.743 1.00 0.00 O flip ATOM 739 ND2 ASN A 46 2.085 3.602 -15.744 1.00 0.00 N flip ATOM 0 H ASN A 46 0.430 4.827 -11.384 1.00 0.00 H new ATOM 0 HA ASN A 46 1.273 2.455 -12.502 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.134 3.642 -14.089 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.592 5.186 -13.399 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.436 2.816 -15.791 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.785 3.730 -16.475 1.00 0.00 H new ATOM 746 N ASP A 47 3.726 4.593 -12.101 1.00 0.00 N ATOM 747 CA ASP A 47 5.178 4.745 -12.146 1.00 0.00 C ATOM 748 C ASP A 47 5.867 3.555 -11.482 1.00 0.00 C ATOM 749 O ASP A 47 7.070 3.355 -11.631 1.00 0.00 O ATOM 750 CB ASP A 47 5.590 6.044 -11.450 1.00 0.00 C ATOM 751 CG ASP A 47 5.953 7.098 -12.491 1.00 0.00 C ATOM 752 OD1 ASP A 47 5.198 7.251 -13.439 1.00 0.00 O ATOM 753 OD2 ASP A 47 6.980 7.736 -12.328 1.00 0.00 O ATOM 0 H ASP A 47 3.235 5.361 -11.643 1.00 0.00 H new ATOM 0 HA ASP A 47 5.488 4.784 -13.190 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.775 6.405 -10.823 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.440 5.861 -10.793 1.00 0.00 H new ATOM 758 N ALA A 48 5.097 2.781 -10.734 1.00 0.00 N ATOM 759 CA ALA A 48 5.628 1.609 -10.051 1.00 0.00 C ATOM 760 C ALA A 48 5.466 0.355 -10.905 1.00 0.00 C ATOM 761 O ALA A 48 6.295 -0.553 -10.858 1.00 0.00 O ATOM 762 CB ALA A 48 4.878 1.405 -8.748 1.00 0.00 C ATOM 0 H ALA A 48 4.101 2.942 -10.583 1.00 0.00 H new ATOM 0 HA ALA A 48 6.689 1.776 -9.864 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.273 0.529 -8.234 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.003 2.284 -8.115 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.819 1.256 -8.957 1.00 0.00 H new ATOM 768 N PHE A 49 4.372 0.307 -11.661 1.00 0.00 N ATOM 769 CA PHE A 49 4.076 -0.852 -12.499 1.00 0.00 C ATOM 770 C PHE A 49 4.979 -0.882 -13.720 1.00 0.00 C ATOM 771 O PHE A 49 5.319 -1.952 -14.223 1.00 0.00 O ATOM 772 CB PHE A 49 2.609 -0.815 -12.949 1.00 0.00 C ATOM 773 CG PHE A 49 2.529 -1.084 -14.435 1.00 0.00 C ATOM 774 CD1 PHE A 49 2.679 -0.032 -15.347 1.00 0.00 C ATOM 775 CD2 PHE A 49 2.307 -2.387 -14.902 1.00 0.00 C ATOM 776 CE1 PHE A 49 2.603 -0.281 -16.724 1.00 0.00 C ATOM 777 CE2 PHE A 49 2.231 -2.635 -16.278 1.00 0.00 C ATOM 778 CZ PHE A 49 2.382 -1.583 -17.189 1.00 0.00 C ATOM 0 H PHE A 49 3.679 1.053 -11.711 1.00 0.00 H new ATOM 0 HA PHE A 49 4.255 -1.751 -11.909 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.031 -1.560 -12.402 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.172 0.157 -12.721 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.853 0.972 -14.989 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.195 -3.200 -14.200 1.00 0.00 H new ATOM 0 HE1 PHE A 49 2.715 0.532 -17.427 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.056 -3.639 -16.637 1.00 0.00 H new ATOM 0 HZ PHE A 49 2.328 -1.776 -18.250 1.00 0.00 H new ATOM 834 N THR A 53 7.826 -7.066 -16.504 1.00 0.00 N ATOM 835 CA THR A 53 7.893 -7.836 -17.738 1.00 0.00 C ATOM 836 C THR A 53 6.788 -8.882 -17.769 1.00 0.00 C ATOM 837 O THR A 53 6.301 -9.313 -16.725 1.00 0.00 O ATOM 838 CB THR A 53 9.253 -8.520 -17.855 1.00 0.00 C ATOM 839 OG1 THR A 53 9.363 -9.529 -16.859 1.00 0.00 O ATOM 840 CG2 THR A 53 10.354 -7.483 -17.660 1.00 0.00 C ATOM 0 HA THR A 53 7.760 -7.156 -18.579 1.00 0.00 H new ATOM 0 HB THR A 53 9.353 -8.976 -18.840 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.235 -9.970 -16.935 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.328 -7.966 -17.743 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.266 -6.711 -18.424 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.256 -7.030 -16.674 1.00 0.00 H new ATOM 848 N SER A 54 6.395 -9.281 -18.970 1.00 0.00 N ATOM 849 CA SER A 54 5.340 -10.276 -19.125 1.00 0.00 C ATOM 850 C SER A 54 5.607 -11.488 -18.235 1.00 0.00 C ATOM 851 O SER A 54 4.684 -12.085 -17.683 1.00 0.00 O ATOM 852 CB SER A 54 5.259 -10.722 -20.587 1.00 0.00 C ATOM 853 OG SER A 54 5.767 -12.045 -20.703 1.00 0.00 O ATOM 0 H SER A 54 6.786 -8.935 -19.846 1.00 0.00 H new ATOM 0 HA SER A 54 4.393 -9.825 -18.827 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.226 -10.685 -20.934 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.832 -10.043 -21.219 1.00 0.00 H new ATOM 0 HG SER A 54 5.715 -12.335 -21.638 1.00 0.00 H new ATOM 859 N GLU A 55 6.876 -11.842 -18.098 1.00 0.00 N ATOM 860 CA GLU A 55 7.256 -12.985 -17.279 1.00 0.00 C ATOM 861 C GLU A 55 7.059 -12.684 -15.799 1.00 0.00 C ATOM 862 O GLU A 55 6.652 -13.551 -15.029 1.00 0.00 O ATOM 863 CB GLU A 55 8.721 -13.345 -17.538 1.00 0.00 C ATOM 864 CG GLU A 55 8.922 -14.847 -17.332 1.00 0.00 C ATOM 865 CD GLU A 55 10.389 -15.209 -17.531 1.00 0.00 C ATOM 866 OE1 GLU A 55 11.203 -14.755 -16.745 1.00 0.00 O ATOM 867 OE2 GLU A 55 10.677 -15.935 -18.469 1.00 0.00 O ATOM 0 H GLU A 55 7.657 -11.358 -18.540 1.00 0.00 H new ATOM 0 HA GLU A 55 6.618 -13.826 -17.549 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.001 -13.066 -18.554 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.369 -12.785 -16.864 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.602 -15.131 -16.330 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.303 -15.405 -18.035 1.00 0.00 H new ATOM 874 N GLU A 56 7.352 -11.451 -15.408 1.00 0.00 N ATOM 875 CA GLU A 56 7.205 -11.052 -14.015 1.00 0.00 C ATOM 876 C GLU A 56 5.748 -11.158 -13.574 1.00 0.00 C ATOM 877 O GLU A 56 5.418 -11.897 -12.641 1.00 0.00 O ATOM 878 CB GLU A 56 7.695 -9.611 -13.826 1.00 0.00 C ATOM 879 CG GLU A 56 9.207 -9.598 -13.569 1.00 0.00 C ATOM 880 CD GLU A 56 9.670 -8.174 -13.269 1.00 0.00 C ATOM 881 OE1 GLU A 56 9.702 -7.375 -14.190 1.00 0.00 O ATOM 882 OE2 GLU A 56 9.983 -7.904 -12.120 1.00 0.00 O ATOM 0 H GLU A 56 7.690 -10.716 -16.029 1.00 0.00 H new ATOM 0 HA GLU A 56 7.807 -11.723 -13.402 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.464 -9.021 -14.713 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.172 -9.148 -12.989 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.448 -10.252 -12.731 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.736 -9.986 -14.439 1.00 0.00 H new ATOM 889 N LYS A 57 4.877 -10.418 -14.246 1.00 0.00 N ATOM 890 CA LYS A 57 3.465 -10.443 -13.898 1.00 0.00 C ATOM 891 C LYS A 57 2.929 -11.871 -13.950 1.00 0.00 C ATOM 892 O LYS A 57 2.022 -12.231 -13.199 1.00 0.00 O ATOM 893 CB LYS A 57 2.669 -9.548 -14.850 1.00 0.00 C ATOM 894 CG LYS A 57 3.017 -9.901 -16.295 1.00 0.00 C ATOM 895 CD LYS A 57 1.893 -9.443 -17.224 1.00 0.00 C ATOM 896 CE LYS A 57 1.737 -7.925 -17.139 1.00 0.00 C ATOM 897 NZ LYS A 57 1.373 -7.399 -18.484 1.00 0.00 N ATOM 0 H LYS A 57 5.118 -9.803 -15.023 1.00 0.00 H new ATOM 0 HA LYS A 57 3.352 -10.065 -12.882 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.600 -9.679 -14.680 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.897 -8.500 -14.656 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.954 -9.423 -16.580 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.165 -10.977 -16.391 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.114 -9.738 -18.250 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.958 -9.930 -16.946 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.967 -7.666 -16.412 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.666 -7.470 -16.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.265 -6.366 -18.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.123 -7.637 -19.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.477 -7.827 -18.793 1.00 0.00 H new ATOM 911 N GLU A 58 3.493 -12.680 -14.844 1.00 0.00 N ATOM 912 CA GLU A 58 3.060 -14.062 -14.982 1.00 0.00 C ATOM 913 C GLU A 58 3.482 -14.875 -13.767 1.00 0.00 C ATOM 914 O GLU A 58 2.737 -15.717 -13.281 1.00 0.00 O ATOM 915 CB GLU A 58 3.666 -14.675 -16.241 1.00 0.00 C ATOM 916 CG GLU A 58 2.932 -14.132 -17.462 1.00 0.00 C ATOM 917 CD GLU A 58 1.762 -15.043 -17.822 1.00 0.00 C ATOM 918 OE1 GLU A 58 1.785 -15.601 -18.907 1.00 0.00 O ATOM 919 OE2 GLU A 58 0.862 -15.168 -17.009 1.00 0.00 O ATOM 0 H GLU A 58 4.244 -12.403 -15.477 1.00 0.00 H new ATOM 0 HA GLU A 58 1.973 -14.078 -15.058 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.728 -14.435 -16.303 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.586 -15.762 -16.206 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.569 -13.125 -17.259 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.619 -14.059 -18.305 1.00 0.00 H new ATOM 926 N ILE A 59 4.682 -14.614 -13.280 1.00 0.00 N ATOM 927 CA ILE A 59 5.188 -15.328 -12.119 1.00 0.00 C ATOM 928 C ILE A 59 4.266 -15.117 -10.922 1.00 0.00 C ATOM 929 O ILE A 59 4.122 -15.999 -10.076 1.00 0.00 O ATOM 930 CB ILE A 59 6.589 -14.830 -11.785 1.00 0.00 C ATOM 931 CG1 ILE A 59 7.599 -15.469 -12.742 1.00 0.00 C ATOM 932 CG2 ILE A 59 6.939 -15.214 -10.347 1.00 0.00 C ATOM 933 CD1 ILE A 59 8.796 -14.533 -12.927 1.00 0.00 C ATOM 0 H ILE A 59 5.321 -13.919 -13.666 1.00 0.00 H new ATOM 0 HA ILE A 59 5.225 -16.393 -12.348 1.00 0.00 H new ATOM 0 HB ILE A 59 6.623 -13.746 -11.890 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.933 -16.428 -12.347 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.128 -15.667 -13.705 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.941 -14.858 -10.109 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.221 -14.760 -9.664 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.905 -16.298 -10.241 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.513 -14.990 -13.609 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.455 -13.584 -13.342 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.273 -14.357 -11.963 1.00 0.00 H new ATOM 945 N LEU A 60 3.646 -13.942 -10.855 1.00 0.00 N ATOM 946 CA LEU A 60 2.742 -13.632 -9.749 1.00 0.00 C ATOM 947 C LEU A 60 1.419 -14.385 -9.891 1.00 0.00 C ATOM 948 O LEU A 60 0.982 -15.090 -8.972 1.00 0.00 O ATOM 949 CB LEU A 60 2.470 -12.129 -9.701 1.00 0.00 C ATOM 950 CG LEU A 60 3.796 -11.372 -9.700 1.00 0.00 C ATOM 951 CD1 LEU A 60 3.517 -9.873 -9.686 1.00 0.00 C ATOM 952 CD2 LEU A 60 4.604 -11.747 -8.456 1.00 0.00 C ATOM 0 H LEU A 60 3.750 -13.197 -11.543 1.00 0.00 H new ATOM 0 HA LEU A 60 3.223 -13.948 -8.823 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.869 -11.830 -10.560 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.896 -11.881 -8.808 1.00 0.00 H new ATOM 0 HG LEU A 60 4.364 -11.635 -10.592 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.461 -9.327 -9.685 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.942 -9.602 -10.571 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.949 -9.617 -8.792 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.550 -11.205 -8.459 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.038 -11.485 -7.562 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.801 -12.819 -8.459 1.00 0.00 H new ATOM 964 N ILE A 61 0.779 -14.231 -11.048 1.00 0.00 N ATOM 965 CA ILE A 61 -0.495 -14.893 -11.300 1.00 0.00 C ATOM 966 C ILE A 61 -0.288 -16.392 -11.500 1.00 0.00 C ATOM 967 O ILE A 61 -1.248 -17.159 -11.556 1.00 0.00 O ATOM 968 CB ILE A 61 -1.168 -14.287 -12.540 1.00 0.00 C ATOM 969 CG1 ILE A 61 -0.391 -14.679 -13.797 1.00 0.00 C ATOM 970 CG2 ILE A 61 -1.181 -12.762 -12.427 1.00 0.00 C ATOM 971 CD1 ILE A 61 -1.138 -15.780 -14.550 1.00 0.00 C ATOM 0 H ILE A 61 1.120 -13.658 -11.820 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.141 -14.742 -10.435 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.189 -14.664 -12.605 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.262 -13.809 -14.441 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.606 -15.025 -13.525 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.659 -12.336 -13.309 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.735 -12.468 -11.536 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.158 -12.394 -12.356 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.578 -16.054 -15.444 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.244 -16.653 -13.907 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.126 -15.419 -14.837 1.00 0.00 H new ATOM 983 N ARG A 62 0.973 -16.801 -11.608 1.00 0.00 N ATOM 984 CA ARG A 62 1.293 -18.209 -11.803 1.00 0.00 C ATOM 985 C ARG A 62 0.923 -19.015 -10.568 1.00 0.00 C ATOM 986 O ARG A 62 0.750 -20.231 -10.640 1.00 0.00 O ATOM 987 CB ARG A 62 2.785 -18.381 -12.091 1.00 0.00 C ATOM 988 CG ARG A 62 3.153 -19.864 -12.052 1.00 0.00 C ATOM 989 CD ARG A 62 4.428 -20.082 -12.866 1.00 0.00 C ATOM 990 NE ARG A 62 4.828 -21.484 -12.827 1.00 0.00 N ATOM 991 CZ ARG A 62 4.167 -22.405 -13.519 1.00 0.00 C ATOM 992 NH1 ARG A 62 3.136 -22.063 -14.244 1.00 0.00 N ATOM 993 NH2 ARG A 62 4.564 -23.646 -13.496 1.00 0.00 N ATOM 0 H ARG A 62 1.783 -16.182 -11.564 1.00 0.00 H new ATOM 0 HA ARG A 62 0.717 -18.573 -12.654 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.027 -17.963 -13.068 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.372 -17.832 -11.355 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.304 -20.187 -11.022 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.339 -20.465 -12.459 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.264 -19.774 -13.898 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.230 -19.458 -12.470 1.00 0.00 H new ATOM 0 HE ARG A 62 5.628 -21.762 -12.259 1.00 0.00 H new ATOM 0 HH11 ARG A 62 2.838 -21.088 -14.279 1.00 0.00 H new ATOM 0 HH12 ARG A 62 2.629 -22.771 -14.775 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.382 -23.910 -12.947 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.057 -24.354 -14.027 1.00 0.00 H new ATOM 1007 N ASP A 63 0.800 -18.334 -9.434 1.00 0.00 N ATOM 1008 CA ASP A 63 0.445 -19.012 -8.194 1.00 0.00 C ATOM 1009 C ASP A 63 -0.587 -18.204 -7.433 1.00 0.00 C ATOM 1010 O ASP A 63 -0.338 -17.061 -7.057 1.00 0.00 O ATOM 1011 CB ASP A 63 1.686 -19.202 -7.326 1.00 0.00 C ATOM 1012 CG ASP A 63 1.964 -20.688 -7.141 1.00 0.00 C ATOM 1013 OD1 ASP A 63 3.069 -21.105 -7.443 1.00 0.00 O ATOM 1014 OD2 ASP A 63 1.066 -21.389 -6.701 1.00 0.00 O ATOM 0 H ASP A 63 0.939 -17.327 -9.348 1.00 0.00 H new ATOM 0 HA ASP A 63 0.025 -19.988 -8.439 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.544 -18.717 -7.792 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.539 -18.727 -6.356 1.00 0.00 H new ATOM 1019 N LYS A 64 -1.748 -18.797 -7.207 1.00 0.00 N ATOM 1020 CA LYS A 64 -2.800 -18.097 -6.489 1.00 0.00 C ATOM 1021 C LYS A 64 -2.247 -17.502 -5.204 1.00 0.00 C ATOM 1022 O LYS A 64 -2.592 -16.393 -4.828 1.00 0.00 O ATOM 1023 CB LYS A 64 -3.965 -19.063 -6.177 1.00 0.00 C ATOM 1024 CG LYS A 64 -4.872 -18.549 -5.029 1.00 0.00 C ATOM 1025 CD LYS A 64 -5.630 -17.290 -5.456 1.00 0.00 C ATOM 1026 CE LYS A 64 -7.074 -17.680 -5.754 1.00 0.00 C ATOM 1027 NZ LYS A 64 -7.741 -18.066 -4.480 1.00 0.00 N ATOM 0 H LYS A 64 -1.983 -19.744 -7.504 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.177 -17.288 -7.115 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.566 -19.204 -7.075 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -3.561 -20.039 -5.907 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.581 -19.326 -4.744 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.265 -18.333 -4.150 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.594 -16.539 -4.667 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.166 -16.848 -6.338 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.601 -16.847 -6.218 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.102 -18.509 -6.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.040 -19.061 -4.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.076 -17.945 -3.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.574 -17.462 -4.327 1.00 0.00 H new ATOM 1041 N ASN A 65 -1.403 -18.253 -4.522 1.00 0.00 N ATOM 1042 CA ASN A 65 -0.845 -17.786 -3.267 1.00 0.00 C ATOM 1043 C ASN A 65 0.148 -16.655 -3.493 1.00 0.00 C ATOM 1044 O ASN A 65 0.355 -15.815 -2.616 1.00 0.00 O ATOM 1045 CB ASN A 65 -0.156 -18.945 -2.546 1.00 0.00 C ATOM 1046 CG ASN A 65 -1.012 -19.422 -1.374 1.00 0.00 C ATOM 1047 OD1 ASN A 65 -1.148 -18.716 -0.375 1.00 0.00 O ATOM 1048 ND2 ASN A 65 -1.599 -20.588 -1.438 1.00 0.00 N ATOM 0 H ASN A 65 -1.091 -19.180 -4.812 1.00 0.00 H new ATOM 0 HA ASN A 65 -1.660 -17.404 -2.652 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.011 -19.767 -3.242 1.00 0.00 H new ATOM 0 HB3 ASN A 65 0.823 -18.628 -2.186 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.171 -20.914 -0.659 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.485 -21.172 -2.267 1.00 0.00 H new ATOM 1055 N ALA A 66 0.760 -16.638 -4.669 1.00 0.00 N ATOM 1056 CA ALA A 66 1.737 -15.608 -4.984 1.00 0.00 C ATOM 1057 C ALA A 66 1.060 -14.271 -5.209 1.00 0.00 C ATOM 1058 O ALA A 66 1.288 -13.307 -4.465 1.00 0.00 O ATOM 1059 CB ALA A 66 2.502 -16.009 -6.243 1.00 0.00 C ATOM 0 H ALA A 66 0.599 -17.318 -5.412 1.00 0.00 H new ATOM 0 HA ALA A 66 2.423 -15.509 -4.143 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.236 -15.240 -6.483 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.012 -16.957 -6.072 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.805 -16.117 -7.074 1.00 0.00 H new ATOM 1065 N LEU A 67 0.205 -14.203 -6.218 1.00 0.00 N ATOM 1066 CA LEU A 67 -0.485 -12.960 -6.473 1.00 0.00 C ATOM 1067 C LEU A 67 -1.197 -12.514 -5.201 1.00 0.00 C ATOM 1068 O LEU A 67 -1.319 -11.323 -4.939 1.00 0.00 O ATOM 1069 CB LEU A 67 -1.469 -13.099 -7.658 1.00 0.00 C ATOM 1070 CG LEU A 67 -2.943 -13.130 -7.185 1.00 0.00 C ATOM 1071 CD1 LEU A 67 -3.870 -12.975 -8.394 1.00 0.00 C ATOM 1072 CD2 LEU A 67 -3.238 -14.461 -6.495 1.00 0.00 C ATOM 0 H LEU A 67 -0.019 -14.970 -6.852 1.00 0.00 H new ATOM 0 HA LEU A 67 0.240 -12.197 -6.757 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.327 -12.267 -8.347 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.246 -14.012 -8.210 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.110 -12.313 -6.484 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.908 -12.997 -8.062 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.667 -12.025 -8.889 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.696 -13.793 -9.093 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.277 -14.477 -6.164 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.067 -15.279 -7.195 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.581 -14.578 -5.633 1.00 0.00 H new ATOM 1084 N GLN A 68 -1.716 -13.475 -4.436 1.00 0.00 N ATOM 1085 CA GLN A 68 -2.462 -13.135 -3.229 1.00 0.00 C ATOM 1086 C GLN A 68 -1.568 -12.398 -2.242 1.00 0.00 C ATOM 1087 O GLN A 68 -1.899 -11.304 -1.755 1.00 0.00 O ATOM 1088 CB GLN A 68 -3.025 -14.392 -2.552 1.00 0.00 C ATOM 1089 CG GLN A 68 -4.530 -14.541 -2.846 1.00 0.00 C ATOM 1090 CD GLN A 68 -5.338 -13.660 -1.914 1.00 0.00 C ATOM 1091 OE1 GLN A 68 -5.355 -12.380 -2.133 1.00 0.00 O flip ATOM 1092 NE2 GLN A 68 -5.959 -14.143 -0.965 1.00 0.00 N flip ATOM 0 H GLN A 68 -1.635 -14.474 -4.626 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.291 -12.492 -3.526 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.491 -15.273 -2.908 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.864 -14.335 -1.476 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -4.734 -14.269 -3.882 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -4.830 -15.582 -2.725 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.939 -15.150 -0.802 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.493 -13.536 -0.343 1.00 0.00 H new ATOM 1101 N ASN A 69 -0.425 -13.005 -1.950 1.00 0.00 N ATOM 1102 CA ASN A 69 0.511 -12.407 -1.025 1.00 0.00 C ATOM 1103 C ASN A 69 0.807 -10.980 -1.454 1.00 0.00 C ATOM 1104 O ASN A 69 1.055 -10.110 -0.623 1.00 0.00 O ATOM 1105 CB ASN A 69 1.803 -13.230 -0.962 1.00 0.00 C ATOM 1106 CG ASN A 69 2.777 -12.802 -2.052 1.00 0.00 C ATOM 1107 OD1 ASN A 69 3.328 -11.625 -1.993 1.00 0.00 O flip ATOM 1108 ND2 ASN A 69 3.064 -13.571 -2.968 1.00 0.00 N flip ATOM 0 H ASN A 69 -0.131 -13.901 -2.339 1.00 0.00 H new ATOM 0 HA ASN A 69 0.070 -12.394 -0.028 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.269 -13.107 0.016 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.570 -14.289 -1.073 1.00 0.00 H new ATOM 0 HD21 ASN A 69 2.632 -14.494 -3.014 1.00 0.00 H new ATOM 0 HD22 ASN A 69 3.734 -13.286 -3.682 1.00 0.00 H new ATOM 1115 N ILE A 70 0.770 -10.745 -2.766 1.00 0.00 N ATOM 1116 CA ILE A 70 1.032 -9.403 -3.288 1.00 0.00 C ATOM 1117 C ILE A 70 -0.238 -8.558 -3.255 1.00 0.00 C ATOM 1118 O ILE A 70 -0.183 -7.357 -3.001 1.00 0.00 O ATOM 1119 CB ILE A 70 1.557 -9.485 -4.725 1.00 0.00 C ATOM 1120 CG1 ILE A 70 2.967 -10.104 -4.734 1.00 0.00 C ATOM 1121 CG2 ILE A 70 1.588 -8.090 -5.365 1.00 0.00 C ATOM 1122 CD1 ILE A 70 3.984 -9.235 -3.965 1.00 0.00 C ATOM 0 H ILE A 70 0.566 -11.450 -3.474 1.00 0.00 H new ATOM 0 HA ILE A 70 1.786 -8.933 -2.657 1.00 0.00 H new ATOM 0 HB ILE A 70 0.887 -10.118 -5.307 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.929 -11.098 -4.289 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.302 -10.229 -5.764 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.963 -8.166 -6.385 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.581 -7.674 -5.379 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.242 -7.438 -4.786 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.965 -9.709 -3.997 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.042 -8.249 -4.426 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.664 -9.132 -2.928 1.00 0.00 H new ATOM 1134 N ILE A 71 -1.377 -9.185 -3.511 1.00 0.00 N ATOM 1135 CA ILE A 71 -2.638 -8.462 -3.501 1.00 0.00 C ATOM 1136 C ILE A 71 -2.761 -7.634 -2.232 1.00 0.00 C ATOM 1137 O ILE A 71 -3.169 -6.475 -2.274 1.00 0.00 O ATOM 1138 CB ILE A 71 -3.807 -9.445 -3.588 1.00 0.00 C ATOM 1139 CG1 ILE A 71 -4.030 -9.841 -5.053 1.00 0.00 C ATOM 1140 CG2 ILE A 71 -5.075 -8.807 -3.007 1.00 0.00 C ATOM 1141 CD1 ILE A 71 -4.972 -8.843 -5.720 1.00 0.00 C ATOM 0 H ILE A 71 -1.454 -10.179 -3.725 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.663 -7.796 -4.364 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.575 -10.338 -3.008 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.077 -9.865 -5.582 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.451 -10.845 -5.108 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.902 -9.514 -3.073 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.905 -8.545 -1.963 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.321 -7.908 -3.571 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.127 -9.129 -6.760 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.929 -8.841 -5.198 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.534 -7.846 -5.679 1.00 0.00 H new ATOM 1153 N LEU A 72 -2.417 -8.230 -1.097 1.00 0.00 N ATOM 1154 CA LEU A 72 -2.520 -7.504 0.163 1.00 0.00 C ATOM 1155 C LEU A 72 -1.606 -6.290 0.172 1.00 0.00 C ATOM 1156 O LEU A 72 -1.717 -5.423 1.039 1.00 0.00 O ATOM 1157 CB LEU A 72 -2.148 -8.419 1.311 1.00 0.00 C ATOM 1158 CG LEU A 72 -3.054 -9.643 1.279 1.00 0.00 C ATOM 1159 CD1 LEU A 72 -2.205 -10.893 1.428 1.00 0.00 C ATOM 1160 CD2 LEU A 72 -4.056 -9.551 2.428 1.00 0.00 C ATOM 0 H LEU A 72 -2.073 -9.187 -1.021 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.549 -7.164 0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.104 -8.721 1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.255 -7.895 2.261 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.594 -9.687 0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.847 -11.774 1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.488 -10.946 0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.669 -10.858 2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.709 -10.424 2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.520 -9.516 3.376 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.656 -8.648 2.316 1.00 0.00 H new ATOM 1172 N TYR A 73 -0.702 -6.233 -0.793 1.00 0.00 N ATOM 1173 CA TYR A 73 0.231 -5.123 -0.886 1.00 0.00 C ATOM 1174 C TYR A 73 0.754 -4.730 0.489 1.00 0.00 C ATOM 1175 O TYR A 73 0.786 -3.548 0.829 1.00 0.00 O ATOM 1176 CB TYR A 73 -0.445 -3.917 -1.535 1.00 0.00 C ATOM 1177 CG TYR A 73 -0.791 -4.256 -2.963 1.00 0.00 C ATOM 1178 CD1 TYR A 73 -2.129 -4.344 -3.361 1.00 0.00 C ATOM 1179 CD2 TYR A 73 0.233 -4.493 -3.887 1.00 0.00 C ATOM 1180 CE1 TYR A 73 -2.445 -4.669 -4.687 1.00 0.00 C ATOM 1181 CE2 TYR A 73 -0.082 -4.815 -5.209 1.00 0.00 C ATOM 1182 CZ TYR A 73 -1.417 -4.904 -5.609 1.00 0.00 C ATOM 1183 OH TYR A 73 -1.719 -5.220 -6.917 1.00 0.00 O ATOM 0 H TYR A 73 -0.595 -6.940 -1.520 1.00 0.00 H new ATOM 0 HA TYR A 73 1.072 -5.445 -1.501 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.346 -3.649 -0.983 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.218 -3.052 -1.504 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.918 -4.162 -2.647 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.266 -4.427 -3.578 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.477 -4.738 -4.997 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.708 -4.995 -5.923 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.942 -4.402 -7.408 1.00 0.00 H new ATOM 1193 N HIS A 74 1.159 -5.729 1.274 1.00 0.00 N ATOM 1194 CA HIS A 74 1.688 -5.472 2.610 1.00 0.00 C ATOM 1195 C HIS A 74 0.644 -4.795 3.485 1.00 0.00 C ATOM 1196 O HIS A 74 0.928 -3.796 4.148 1.00 0.00 O ATOM 1197 CB HIS A 74 2.947 -4.595 2.524 1.00 0.00 C ATOM 1198 CG HIS A 74 4.026 -5.346 1.797 1.00 0.00 C ATOM 1199 ND1 HIS A 74 4.029 -5.489 0.419 1.00 0.00 N ATOM 1200 CD2 HIS A 74 5.145 -6.001 2.245 1.00 0.00 C ATOM 1201 CE1 HIS A 74 5.120 -6.205 0.089 1.00 0.00 C ATOM 1202 NE2 HIS A 74 5.835 -6.541 1.165 1.00 0.00 N ATOM 0 H HIS A 74 1.131 -6.714 1.010 1.00 0.00 H new ATOM 0 HA HIS A 74 1.950 -6.429 3.061 1.00 0.00 H new ATOM 0 HB2 HIS A 74 2.721 -3.665 2.003 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.286 -4.326 3.524 1.00 0.00 H new ATOM 0 HD2 HIS A 74 5.445 -6.085 3.279 1.00 0.00 H new ATOM 0 HE1 HIS A 74 5.385 -6.475 -0.923 1.00 0.00 H new ATOM 0 HE2 HIS A 74 6.702 -7.078 1.190 1.00 0.00 H new ATOM 1211 N LEU A 75 -0.565 -5.347 3.496 1.00 0.00 N ATOM 1212 CA LEU A 75 -1.628 -4.781 4.315 1.00 0.00 C ATOM 1213 C LEU A 75 -1.266 -4.924 5.789 1.00 0.00 C ATOM 1214 O LEU A 75 -1.037 -6.036 6.264 1.00 0.00 O ATOM 1215 CB LEU A 75 -2.946 -5.523 4.052 1.00 0.00 C ATOM 1216 CG LEU A 75 -3.979 -5.206 5.145 1.00 0.00 C ATOM 1217 CD1 LEU A 75 -4.181 -3.696 5.261 1.00 0.00 C ATOM 1218 CD2 LEU A 75 -5.306 -5.864 4.776 1.00 0.00 C ATOM 0 H LEU A 75 -0.830 -6.171 2.957 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.747 -3.728 4.061 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.342 -5.236 3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.763 -6.597 4.019 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.620 -5.588 6.101 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.915 -3.486 6.039 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.234 -3.221 5.518 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.538 -3.302 4.309 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.047 -5.645 5.545 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.651 -5.474 3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.169 -6.943 4.701 1.00 0.00 H new ATOM 1230 N THR A 76 -1.243 -3.808 6.507 1.00 0.00 N ATOM 1231 CA THR A 76 -0.933 -3.830 7.931 1.00 0.00 C ATOM 1232 C THR A 76 -2.143 -3.381 8.755 1.00 0.00 C ATOM 1233 O THR A 76 -2.858 -2.470 8.353 1.00 0.00 O ATOM 1234 CB THR A 76 0.250 -2.896 8.207 1.00 0.00 C ATOM 1235 OG1 THR A 76 1.384 -3.672 8.556 1.00 0.00 O ATOM 1236 CG2 THR A 76 -0.063 -1.917 9.354 1.00 0.00 C ATOM 0 H THR A 76 -1.434 -2.880 6.129 1.00 0.00 H new ATOM 0 HA THR A 76 -0.677 -4.850 8.218 1.00 0.00 H new ATOM 0 HB THR A 76 0.445 -2.316 7.305 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.249 -4.069 9.442 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.797 -1.269 9.524 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.928 -1.310 9.088 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.279 -2.479 10.263 1.00 0.00 H new ATOM 1244 N PRO A 77 -2.365 -3.969 9.911 1.00 0.00 N ATOM 1245 CA PRO A 77 -3.485 -3.558 10.815 1.00 0.00 C ATOM 1246 C PRO A 77 -3.175 -2.279 11.572 1.00 0.00 C ATOM 1247 O PRO A 77 -2.012 -1.953 11.816 1.00 0.00 O ATOM 1248 CB PRO A 77 -3.620 -4.740 11.778 1.00 0.00 C ATOM 1249 CG PRO A 77 -2.251 -5.330 11.854 1.00 0.00 C ATOM 1250 CD PRO A 77 -1.594 -5.086 10.494 1.00 0.00 C ATOM 0 HA PRO A 77 -4.399 -3.342 10.261 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.965 -4.413 12.759 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.344 -5.468 11.412 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -1.673 -4.865 12.653 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.300 -6.396 12.075 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.540 -4.828 10.602 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.642 -5.974 9.864 1.00 0.00 H new ATOM 1258 N GLY A 78 -4.221 -1.551 11.938 1.00 0.00 N ATOM 1259 CA GLY A 78 -4.049 -0.302 12.660 1.00 0.00 C ATOM 1260 C GLY A 78 -3.291 0.711 11.814 1.00 0.00 C ATOM 1261 O GLY A 78 -2.228 0.411 11.269 1.00 0.00 O ATOM 0 H GLY A 78 -5.191 -1.803 11.748 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.024 0.102 12.933 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.508 -0.485 13.588 1.00 0.00 H new ATOM 1265 N VAL A 79 -3.845 1.910 11.713 1.00 0.00 N ATOM 1266 CA VAL A 79 -3.220 2.968 10.925 1.00 0.00 C ATOM 1267 C VAL A 79 -1.748 3.102 11.291 1.00 0.00 C ATOM 1268 O VAL A 79 -1.370 2.981 12.457 1.00 0.00 O ATOM 1269 CB VAL A 79 -3.927 4.303 11.179 1.00 0.00 C ATOM 1270 CG1 VAL A 79 -5.369 4.234 10.673 1.00 0.00 C ATOM 1271 CG2 VAL A 79 -3.934 4.602 12.676 1.00 0.00 C ATOM 0 H VAL A 79 -4.721 2.176 12.163 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.306 2.706 9.870 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.395 5.093 10.649 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.865 5.187 10.857 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.370 4.025 9.603 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.901 3.441 11.198 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.437 5.552 12.855 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.461 3.807 13.203 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.908 4.661 13.040 1.00 0.00 H new ATOM 1281 N PHE A 80 -0.922 3.347 10.280 1.00 0.00 N ATOM 1282 CA PHE A 80 0.511 3.492 10.494 1.00 0.00 C ATOM 1283 C PHE A 80 0.844 4.916 10.925 1.00 0.00 C ATOM 1284 O PHE A 80 0.493 5.879 10.243 1.00 0.00 O ATOM 1285 CB PHE A 80 1.269 3.163 9.208 1.00 0.00 C ATOM 1286 CG PHE A 80 2.087 4.360 8.794 1.00 0.00 C ATOM 1287 CD1 PHE A 80 1.612 5.217 7.797 1.00 0.00 C ATOM 1288 CD2 PHE A 80 3.320 4.612 9.408 1.00 0.00 C ATOM 1289 CE1 PHE A 80 2.368 6.331 7.415 1.00 0.00 C ATOM 1290 CE2 PHE A 80 4.077 5.727 9.026 1.00 0.00 C ATOM 1291 CZ PHE A 80 3.601 6.586 8.027 1.00 0.00 C ATOM 0 H PHE A 80 -1.219 3.449 9.310 1.00 0.00 H new ATOM 0 HA PHE A 80 0.812 2.801 11.281 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.918 2.301 9.364 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.568 2.895 8.417 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.662 5.020 7.322 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.687 3.947 10.176 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.000 6.995 6.647 1.00 0.00 H new ATOM 0 HE2 PHE A 80 5.027 5.924 9.501 1.00 0.00 H new ATOM 0 HZ PHE A 80 4.185 7.444 7.729 1.00 0.00 H new ATOM 1301 N ILE A 81 1.521 5.037 12.060 1.00 0.00 N ATOM 1302 CA ILE A 81 1.903 6.344 12.585 1.00 0.00 C ATOM 1303 C ILE A 81 3.411 6.407 12.790 1.00 0.00 C ATOM 1304 O ILE A 81 4.065 5.380 12.974 1.00 0.00 O ATOM 1305 CB ILE A 81 1.202 6.593 13.926 1.00 0.00 C ATOM 1306 CG1 ILE A 81 -0.228 6.049 13.863 1.00 0.00 C ATOM 1307 CG2 ILE A 81 1.160 8.094 14.217 1.00 0.00 C ATOM 1308 CD1 ILE A 81 -0.963 6.373 15.165 1.00 0.00 C ATOM 0 H ILE A 81 1.817 4.248 12.635 1.00 0.00 H new ATOM 0 HA ILE A 81 1.603 7.108 11.868 1.00 0.00 H new ATOM 0 HB ILE A 81 1.753 6.086 14.718 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.757 6.488 13.017 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.210 4.971 13.703 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.661 8.266 15.171 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.177 8.484 14.264 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.612 8.603 13.424 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.980 5.984 15.115 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.439 5.913 16.003 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.994 7.453 15.306 1.00 0.00 H new ATOM 1405 N GLY A 88 14.529 9.687 10.846 1.00 0.00 N ATOM 1406 CA GLY A 88 15.871 9.155 10.650 1.00 0.00 C ATOM 1407 C GLY A 88 15.971 7.732 11.185 1.00 0.00 C ATOM 1408 O GLY A 88 16.823 6.958 10.749 1.00 0.00 O ATOM 0 HA2 GLY A 88 16.121 9.168 9.589 1.00 0.00 H new ATOM 0 HA3 GLY A 88 16.597 9.791 11.157 1.00 0.00 H new ATOM 1412 N VAL A 89 15.106 7.389 12.135 1.00 0.00 N ATOM 1413 CA VAL A 89 15.136 6.050 12.705 1.00 0.00 C ATOM 1414 C VAL A 89 14.208 5.113 11.932 1.00 0.00 C ATOM 1415 O VAL A 89 13.114 5.502 11.528 1.00 0.00 O ATOM 1416 CB VAL A 89 14.712 6.100 14.171 1.00 0.00 C ATOM 1417 CG1 VAL A 89 15.606 7.084 14.931 1.00 0.00 C ATOM 1418 CG2 VAL A 89 13.253 6.550 14.263 1.00 0.00 C ATOM 0 H VAL A 89 14.390 8.006 12.519 1.00 0.00 H new ATOM 0 HA VAL A 89 16.154 5.668 12.634 1.00 0.00 H new ATOM 0 HB VAL A 89 14.813 5.109 14.614 1.00 0.00 H new ATOM 0 HG11 VAL A 89 15.302 7.118 15.977 1.00 0.00 H new ATOM 0 HG12 VAL A 89 16.644 6.758 14.865 1.00 0.00 H new ATOM 0 HG13 VAL A 89 15.509 8.077 14.492 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.949 6.586 15.309 1.00 0.00 H new ATOM 0 HG22 VAL A 89 13.149 7.541 13.820 1.00 0.00 H new ATOM 0 HG23 VAL A 89 12.620 5.844 13.725 1.00 0.00 H new ATOM 1428 N THR A 90 14.648 3.874 11.730 1.00 0.00 N ATOM 1429 CA THR A 90 13.835 2.901 11.008 1.00 0.00 C ATOM 1430 C THR A 90 12.950 2.127 11.984 1.00 0.00 C ATOM 1431 O THR A 90 13.401 1.732 13.060 1.00 0.00 O ATOM 1432 CB THR A 90 14.736 1.920 10.254 1.00 0.00 C ATOM 1433 OG1 THR A 90 16.060 2.430 10.214 1.00 0.00 O ATOM 1434 CG2 THR A 90 14.214 1.730 8.828 1.00 0.00 C ATOM 0 H THR A 90 15.550 3.524 12.051 1.00 0.00 H new ATOM 0 HA THR A 90 13.206 3.435 10.296 1.00 0.00 H new ATOM 0 HB THR A 90 14.733 0.958 10.767 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.638 1.802 9.733 1.00 0.00 H new ATOM 0 HG21 THR A 90 14.858 1.031 8.295 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.199 1.334 8.862 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.212 2.689 8.310 1.00 0.00 H new ATOM 1442 N ASN A 91 11.693 1.913 11.600 1.00 0.00 N ATOM 1443 CA ASN A 91 10.754 1.181 12.447 1.00 0.00 C ATOM 1444 C ASN A 91 10.278 -0.089 11.738 1.00 0.00 C ATOM 1445 O ASN A 91 9.895 -0.051 10.568 1.00 0.00 O ATOM 1446 CB ASN A 91 9.551 2.070 12.786 1.00 0.00 C ATOM 1447 CG ASN A 91 9.865 3.528 12.448 1.00 0.00 C ATOM 1448 OD1 ASN A 91 9.619 3.966 11.325 1.00 0.00 O ATOM 1449 ND2 ASN A 91 10.392 4.316 13.352 1.00 0.00 N ATOM 0 H ASN A 91 11.303 2.234 10.714 1.00 0.00 H new ATOM 0 HA ASN A 91 11.262 0.900 13.369 1.00 0.00 H new ATOM 0 HB2 ASN A 91 8.675 1.739 12.227 1.00 0.00 H new ATOM 0 HB3 ASN A 91 9.307 1.978 13.844 1.00 0.00 H new ATOM 0 HD21 ASN A 91 10.597 5.289 13.124 1.00 0.00 H new ATOM 0 HD22 ASN A 91 10.597 3.957 14.284 1.00 0.00 H new ATOM 1456 N ILE A 92 10.312 -1.210 12.456 1.00 0.00 N ATOM 1457 CA ILE A 92 9.890 -2.493 11.894 1.00 0.00 C ATOM 1458 C ILE A 92 8.407 -2.720 12.153 1.00 0.00 C ATOM 1459 O ILE A 92 7.986 -2.871 13.300 1.00 0.00 O ATOM 1460 CB ILE A 92 10.690 -3.631 12.529 1.00 0.00 C ATOM 1461 CG1 ILE A 92 12.159 -3.212 12.666 1.00 0.00 C ATOM 1462 CG2 ILE A 92 10.586 -4.881 11.653 1.00 0.00 C ATOM 1463 CD1 ILE A 92 12.674 -2.671 11.330 1.00 0.00 C ATOM 0 H ILE A 92 10.626 -1.257 13.425 1.00 0.00 H new ATOM 0 HA ILE A 92 10.070 -2.475 10.819 1.00 0.00 H new ATOM 0 HB ILE A 92 10.287 -3.851 13.517 1.00 0.00 H new ATOM 0 HG12 ILE A 92 12.258 -2.450 13.439 1.00 0.00 H new ATOM 0 HG13 ILE A 92 12.762 -4.065 12.979 1.00 0.00 H new ATOM 0 HG21 ILE A 92 11.157 -5.692 12.106 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.541 -5.178 11.565 1.00 0.00 H new ATOM 0 HG23 ILE A 92 10.986 -4.665 10.662 1.00 0.00 H new ATOM 0 HD11 ILE A 92 13.718 -2.375 11.435 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.591 -3.446 10.568 1.00 0.00 H new ATOM 0 HD13 ILE A 92 12.080 -1.806 11.034 1.00 0.00 H new ATOM 1475 N LEU A 93 7.620 -2.736 11.081 1.00 0.00 N ATOM 1476 CA LEU A 93 6.182 -2.937 11.202 1.00 0.00 C ATOM 1477 C LEU A 93 5.765 -4.235 10.524 1.00 0.00 C ATOM 1478 O LEU A 93 6.082 -4.474 9.358 1.00 0.00 O ATOM 1479 CB LEU A 93 5.434 -1.756 10.562 1.00 0.00 C ATOM 1480 CG LEU A 93 5.179 -0.639 11.589 1.00 0.00 C ATOM 1481 CD1 LEU A 93 6.433 0.226 11.736 1.00 0.00 C ATOM 1482 CD2 LEU A 93 4.017 0.234 11.103 1.00 0.00 C ATOM 0 H LEU A 93 7.953 -2.613 10.125 1.00 0.00 H new ATOM 0 HA LEU A 93 5.928 -2.997 12.260 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.016 -1.362 9.729 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.485 -2.102 10.153 1.00 0.00 H new ATOM 0 HG LEU A 93 4.933 -1.083 12.554 1.00 0.00 H new ATOM 0 HD11 LEU A 93 6.247 1.015 12.464 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.264 -0.392 12.075 1.00 0.00 H new ATOM 0 HD13 LEU A 93 6.682 0.672 10.773 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.831 1.028 11.826 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.271 0.674 10.139 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.121 -0.378 10.998 1.00 0.00 H new ATOM 1494 N LYS A 94 5.053 -5.069 11.269 1.00 0.00 N ATOM 1495 CA LYS A 94 4.588 -6.345 10.748 1.00 0.00 C ATOM 1496 C LYS A 94 3.270 -6.170 10.008 1.00 0.00 C ATOM 1497 O LYS A 94 2.376 -5.461 10.475 1.00 0.00 O ATOM 1498 CB LYS A 94 4.404 -7.342 11.890 1.00 0.00 C ATOM 1499 CG LYS A 94 4.459 -8.763 11.331 1.00 0.00 C ATOM 1500 CD LYS A 94 4.000 -9.753 12.402 1.00 0.00 C ATOM 1501 CE LYS A 94 4.704 -11.095 12.194 1.00 0.00 C ATOM 1502 NZ LYS A 94 4.773 -11.400 10.736 1.00 0.00 N ATOM 0 H LYS A 94 4.785 -4.884 12.236 1.00 0.00 H new ATOM 0 HA LYS A 94 5.336 -6.726 10.053 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.183 -7.203 12.639 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.449 -7.171 12.388 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.822 -8.843 10.450 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.474 -9.001 11.013 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.226 -9.362 13.394 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.919 -9.886 12.350 1.00 0.00 H new ATOM 0 HE2 LYS A 94 5.708 -11.060 12.617 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.165 -11.885 12.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.792 -12.431 10.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.939 -11.002 10.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.636 -10.981 10.334 1.00 0.00 H new ATOM 1516 N THR A 95 3.158 -6.821 8.854 1.00 0.00 N ATOM 1517 CA THR A 95 1.942 -6.734 8.055 1.00 0.00 C ATOM 1518 C THR A 95 1.228 -8.077 8.006 1.00 0.00 C ATOM 1519 O THR A 95 1.800 -9.113 8.345 1.00 0.00 O ATOM 1520 CB THR A 95 2.275 -6.269 6.636 1.00 0.00 C ATOM 1521 OG1 THR A 95 2.539 -7.399 5.816 1.00 0.00 O ATOM 1522 CG2 THR A 95 3.505 -5.364 6.676 1.00 0.00 C ATOM 0 H THR A 95 3.889 -7.410 8.454 1.00 0.00 H new ATOM 0 HA THR A 95 1.278 -6.007 8.524 1.00 0.00 H new ATOM 0 HB THR A 95 1.431 -5.716 6.225 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.337 -7.863 6.146 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.745 -5.031 5.666 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.299 -4.498 7.304 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.350 -5.917 7.086 1.00 0.00 H new ATOM 1530 N THR A 96 -0.028 -8.051 7.581 1.00 0.00 N ATOM 1531 CA THR A 96 -0.816 -9.272 7.492 1.00 0.00 C ATOM 1532 C THR A 96 -0.257 -10.194 6.411 1.00 0.00 C ATOM 1533 O THR A 96 -0.408 -11.412 6.486 1.00 0.00 O ATOM 1534 CB THR A 96 -2.284 -8.935 7.187 1.00 0.00 C ATOM 1535 OG1 THR A 96 -3.126 -9.887 7.821 1.00 0.00 O ATOM 1536 CG2 THR A 96 -2.525 -8.976 5.680 1.00 0.00 C ATOM 0 H THR A 96 -0.520 -7.205 7.295 1.00 0.00 H new ATOM 0 HA THR A 96 -0.762 -9.787 8.451 1.00 0.00 H new ATOM 0 HB THR A 96 -2.507 -7.935 7.560 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.063 -9.674 7.630 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.568 -8.736 5.472 1.00 0.00 H new ATOM 0 HG22 THR A 96 -1.880 -8.248 5.188 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.300 -9.973 5.303 1.00 0.00 H new ATOM 1544 N GLN A 97 0.377 -9.603 5.402 1.00 0.00 N ATOM 1545 CA GLN A 97 0.939 -10.381 4.305 1.00 0.00 C ATOM 1546 C GLN A 97 1.861 -11.472 4.845 1.00 0.00 C ATOM 1547 O GLN A 97 2.140 -12.454 4.160 1.00 0.00 O ATOM 1548 CB GLN A 97 1.734 -9.459 3.375 1.00 0.00 C ATOM 1549 CG GLN A 97 2.474 -10.298 2.328 1.00 0.00 C ATOM 1550 CD GLN A 97 3.009 -9.397 1.221 1.00 0.00 C ATOM 1551 OE1 GLN A 97 3.127 -8.116 1.435 1.00 0.00 O flip ATOM 1552 NE2 GLN A 97 3.334 -9.873 0.134 1.00 0.00 N flip ATOM 0 H GLN A 97 0.513 -8.595 5.322 1.00 0.00 H new ATOM 0 HA GLN A 97 0.123 -10.847 3.753 1.00 0.00 H new ATOM 0 HB2 GLN A 97 1.062 -8.755 2.883 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.446 -8.870 3.953 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.296 -10.838 2.798 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.801 -11.045 1.907 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.241 -10.875 -0.032 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.696 -9.266 -0.601 1.00 0.00 H new ATOM 1561 N GLY A 98 2.327 -11.293 6.080 1.00 0.00 N ATOM 1562 CA GLY A 98 3.215 -12.270 6.704 1.00 0.00 C ATOM 1563 C GLY A 98 4.631 -11.723 6.813 1.00 0.00 C ATOM 1564 O GLY A 98 5.456 -12.248 7.563 1.00 0.00 O ATOM 0 H GLY A 98 2.106 -10.486 6.664 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.842 -12.526 7.696 1.00 0.00 H new ATOM 0 HA3 GLY A 98 3.220 -13.189 6.119 1.00 0.00 H new ATOM 1568 N SER A 99 4.905 -10.663 6.061 1.00 0.00 N ATOM 1569 CA SER A 99 6.223 -10.044 6.082 1.00 0.00 C ATOM 1570 C SER A 99 6.189 -8.741 6.874 1.00 0.00 C ATOM 1571 O SER A 99 5.156 -8.367 7.433 1.00 0.00 O ATOM 1572 CB SER A 99 6.698 -9.767 4.653 1.00 0.00 C ATOM 1573 OG SER A 99 8.023 -9.250 4.689 1.00 0.00 O ATOM 0 H SER A 99 4.236 -10.217 5.433 1.00 0.00 H new ATOM 0 HA SER A 99 6.918 -10.731 6.565 1.00 0.00 H new ATOM 0 HB2 SER A 99 6.669 -10.684 4.064 1.00 0.00 H new ATOM 0 HB3 SER A 99 6.031 -9.055 4.167 1.00 0.00 H new ATOM 0 HG SER A 99 8.330 -9.073 3.775 1.00 0.00 H new ATOM 1579 N LYS A 100 7.330 -8.065 6.919 1.00 0.00 N ATOM 1580 CA LYS A 100 7.450 -6.806 7.646 1.00 0.00 C ATOM 1581 C LYS A 100 7.852 -5.679 6.703 1.00 0.00 C ATOM 1582 O LYS A 100 8.453 -5.918 5.654 1.00 0.00 O ATOM 1583 CB LYS A 100 8.486 -6.933 8.772 1.00 0.00 C ATOM 1584 CG LYS A 100 9.553 -7.970 8.398 1.00 0.00 C ATOM 1585 CD LYS A 100 10.272 -7.535 7.119 1.00 0.00 C ATOM 1586 CE LYS A 100 11.643 -8.210 7.050 1.00 0.00 C ATOM 1587 NZ LYS A 100 12.051 -8.341 5.624 1.00 0.00 N ATOM 0 H LYS A 100 8.189 -8.368 6.459 1.00 0.00 H new ATOM 0 HA LYS A 100 6.479 -6.572 8.082 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.956 -5.967 8.954 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.992 -7.227 9.698 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.271 -8.077 9.211 1.00 0.00 H new ATOM 0 HG3 LYS A 100 9.090 -8.946 8.252 1.00 0.00 H new ATOM 0 HD2 LYS A 100 9.678 -7.804 6.246 1.00 0.00 H new ATOM 0 HD3 LYS A 100 10.387 -6.451 7.104 1.00 0.00 H new ATOM 0 HE2 LYS A 100 12.379 -7.623 7.599 1.00 0.00 H new ATOM 0 HE3 LYS A 100 11.603 -9.192 7.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 13.076 -8.507 5.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 11.547 -9.141 5.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.815 -7.466 5.114 1.00 0.00 H new ATOM 1601 N ILE A 101 7.511 -4.453 7.087 1.00 0.00 N ATOM 1602 CA ILE A 101 7.830 -3.285 6.274 1.00 0.00 C ATOM 1603 C ILE A 101 8.644 -2.280 7.084 1.00 0.00 C ATOM 1604 O ILE A 101 8.376 -2.054 8.267 1.00 0.00 O ATOM 1605 CB ILE A 101 6.534 -2.642 5.766 1.00 0.00 C ATOM 1606 CG1 ILE A 101 6.871 -1.546 4.743 1.00 0.00 C ATOM 1607 CG2 ILE A 101 5.767 -2.034 6.942 1.00 0.00 C ATOM 1608 CD1 ILE A 101 5.596 -1.071 4.030 1.00 0.00 C ATOM 0 H ILE A 101 7.015 -4.243 7.953 1.00 0.00 H new ATOM 0 HA ILE A 101 8.429 -3.598 5.419 1.00 0.00 H new ATOM 0 HB ILE A 101 5.915 -3.402 5.289 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.350 -0.705 5.245 1.00 0.00 H new ATOM 0 HG13 ILE A 101 7.584 -1.928 4.012 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.846 -1.577 6.579 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.525 -2.816 7.662 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.383 -1.275 7.424 1.00 0.00 H new ATOM 0 HD11 ILE A 101 5.850 -0.295 3.308 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.135 -1.911 3.511 1.00 0.00 H new ATOM 0 HD13 ILE A 101 4.897 -0.669 4.764 1.00 0.00 H new ATOM 1620 N PHE A 102 9.647 -1.693 6.443 1.00 0.00 N ATOM 1621 CA PHE A 102 10.511 -0.723 7.108 1.00 0.00 C ATOM 1622 C PHE A 102 10.028 0.696 6.862 1.00 0.00 C ATOM 1623 O PHE A 102 9.897 1.125 5.717 1.00 0.00 O ATOM 1624 CB PHE A 102 11.943 -0.859 6.590 1.00 0.00 C ATOM 1625 CG PHE A 102 12.255 -2.315 6.352 1.00 0.00 C ATOM 1626 CD1 PHE A 102 12.736 -2.736 5.106 1.00 0.00 C ATOM 1627 CD2 PHE A 102 12.071 -3.242 7.382 1.00 0.00 C ATOM 1628 CE1 PHE A 102 13.031 -4.088 4.893 1.00 0.00 C ATOM 1629 CE2 PHE A 102 12.365 -4.591 7.171 1.00 0.00 C ATOM 1630 CZ PHE A 102 12.848 -5.015 5.927 1.00 0.00 C ATOM 0 H PHE A 102 9.883 -1.870 5.467 1.00 0.00 H new ATOM 0 HA PHE A 102 10.481 -0.925 8.179 1.00 0.00 H new ATOM 0 HB2 PHE A 102 12.062 -0.295 5.665 1.00 0.00 H new ATOM 0 HB3 PHE A 102 12.644 -0.439 7.312 1.00 0.00 H new ATOM 0 HD1 PHE A 102 12.879 -2.019 4.311 1.00 0.00 H new ATOM 0 HD2 PHE A 102 11.701 -2.915 8.342 1.00 0.00 H new ATOM 0 HE1 PHE A 102 13.399 -4.416 3.932 1.00 0.00 H new ATOM 0 HE2 PHE A 102 12.220 -5.307 7.967 1.00 0.00 H new ATOM 0 HZ PHE A 102 13.080 -6.057 5.765 1.00 0.00 H new ATOM 1640 N LEU A 103 9.767 1.420 7.947 1.00 0.00 N ATOM 1641 CA LEU A 103 9.300 2.797 7.841 1.00 0.00 C ATOM 1642 C LEU A 103 10.329 3.758 8.420 1.00 0.00 C ATOM 1643 O LEU A 103 10.960 3.475 9.439 1.00 0.00 O ATOM 1644 CB LEU A 103 7.970 2.966 8.585 1.00 0.00 C ATOM 1645 CG LEU A 103 6.785 2.785 7.626 1.00 0.00 C ATOM 1646 CD1 LEU A 103 6.668 3.981 6.678 1.00 0.00 C ATOM 1647 CD2 LEU A 103 6.964 1.501 6.817 1.00 0.00 C ATOM 0 H LEU A 103 9.870 1.078 8.903 1.00 0.00 H new ATOM 0 HA LEU A 103 9.155 3.025 6.785 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.905 2.238 9.393 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.926 3.954 9.042 1.00 0.00 H new ATOM 0 HG LEU A 103 5.871 2.719 8.216 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.822 3.832 6.007 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.516 4.891 7.258 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.583 4.072 6.093 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.120 1.378 6.138 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.887 1.560 6.241 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.012 0.648 7.494 1.00 0.00 H new ATOM 1659 N LYS A 104 10.496 4.892 7.756 1.00 0.00 N ATOM 1660 CA LYS A 104 11.454 5.891 8.202 1.00 0.00 C ATOM 1661 C LYS A 104 11.081 7.267 7.660 1.00 0.00 C ATOM 1662 O LYS A 104 10.693 7.405 6.499 1.00 0.00 O ATOM 1663 CB LYS A 104 12.856 5.498 7.736 1.00 0.00 C ATOM 1664 CG LYS A 104 13.865 6.555 8.190 1.00 0.00 C ATOM 1665 CD LYS A 104 15.285 6.076 7.877 1.00 0.00 C ATOM 1666 CE LYS A 104 15.997 7.108 7.001 1.00 0.00 C ATOM 1667 NZ LYS A 104 17.332 6.582 6.599 1.00 0.00 N ATOM 0 H LYS A 104 9.983 5.142 6.911 1.00 0.00 H new ATOM 0 HA LYS A 104 11.439 5.938 9.291 1.00 0.00 H new ATOM 0 HB2 LYS A 104 13.126 4.524 8.145 1.00 0.00 H new ATOM 0 HB3 LYS A 104 12.876 5.405 6.650 1.00 0.00 H new ATOM 0 HG2 LYS A 104 13.669 7.500 7.684 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.759 6.738 9.259 1.00 0.00 H new ATOM 0 HD2 LYS A 104 15.841 5.926 8.803 1.00 0.00 H new ATOM 0 HD3 LYS A 104 15.250 5.114 7.366 1.00 0.00 H new ATOM 0 HE2 LYS A 104 15.398 7.325 6.116 1.00 0.00 H new ATOM 0 HE3 LYS A 104 16.112 8.045 7.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.816 7.283 6.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 17.902 6.396 7.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 17.210 5.699 6.064 1.00 0.00 H new ATOM 1681 N GLU A 105 11.201 8.277 8.513 1.00 0.00 N ATOM 1682 CA GLU A 105 10.880 9.645 8.130 1.00 0.00 C ATOM 1683 C GLU A 105 12.123 10.524 8.207 1.00 0.00 C ATOM 1684 O GLU A 105 12.908 10.429 9.150 1.00 0.00 O ATOM 1685 CB GLU A 105 9.797 10.209 9.050 1.00 0.00 C ATOM 1686 CG GLU A 105 8.492 10.362 8.268 1.00 0.00 C ATOM 1687 CD GLU A 105 7.400 10.914 9.177 1.00 0.00 C ATOM 1688 OE1 GLU A 105 7.539 12.041 9.621 1.00 0.00 O ATOM 1689 OE2 GLU A 105 6.440 10.201 9.417 1.00 0.00 O ATOM 0 H GLU A 105 11.519 8.173 9.477 1.00 0.00 H new ATOM 0 HA GLU A 105 10.513 9.638 7.104 1.00 0.00 H new ATOM 0 HB2 GLU A 105 9.647 9.546 9.902 1.00 0.00 H new ATOM 0 HB3 GLU A 105 10.110 11.174 9.448 1.00 0.00 H new ATOM 0 HG2 GLU A 105 8.643 11.030 7.420 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.186 9.397 7.863 1.00 0.00 H new ATOM 1696 N VAL A 106 12.297 11.371 7.204 1.00 0.00 N ATOM 1697 CA VAL A 106 13.444 12.265 7.148 1.00 0.00 C ATOM 1698 C VAL A 106 13.029 13.608 6.573 1.00 0.00 C ATOM 1699 O VAL A 106 12.136 13.669 5.734 1.00 0.00 O ATOM 1700 CB VAL A 106 14.539 11.669 6.275 1.00 0.00 C ATOM 1701 CG1 VAL A 106 15.770 12.563 6.332 1.00 0.00 C ATOM 1702 CG2 VAL A 106 14.884 10.264 6.765 1.00 0.00 C ATOM 0 H VAL A 106 11.656 11.458 6.415 1.00 0.00 H new ATOM 0 HA VAL A 106 13.823 12.400 8.161 1.00 0.00 H new ATOM 0 HB VAL A 106 14.191 11.604 5.244 1.00 0.00 H new ATOM 0 HG11 VAL A 106 16.557 12.139 5.708 1.00 0.00 H new ATOM 0 HG12 VAL A 106 15.514 13.558 5.968 1.00 0.00 H new ATOM 0 HG13 VAL A 106 16.122 12.633 7.361 1.00 0.00 H new ATOM 0 HG21 VAL A 106 15.668 9.842 6.137 1.00 0.00 H new ATOM 0 HG22 VAL A 106 15.233 10.314 7.796 1.00 0.00 H new ATOM 0 HG23 VAL A 106 13.997 9.632 6.712 1.00 0.00 H new ATOM 1712 N ASN A 107 13.681 14.673 7.040 1.00 0.00 N ATOM 1713 CA ASN A 107 13.385 16.029 6.576 1.00 0.00 C ATOM 1714 C ASN A 107 11.912 16.175 6.217 1.00 0.00 C ATOM 1715 O ASN A 107 11.568 16.451 5.068 1.00 0.00 O ATOM 1716 CB ASN A 107 14.260 16.397 5.367 1.00 0.00 C ATOM 1717 CG ASN A 107 14.257 15.268 4.351 1.00 0.00 C ATOM 1718 OD1 ASN A 107 13.122 14.780 3.956 1.00 0.00 O flip ATOM 1719 ND2 ASN A 107 15.312 14.829 3.896 1.00 0.00 N flip ATOM 0 H ASN A 107 14.420 14.623 7.741 1.00 0.00 H new ATOM 0 HA ASN A 107 13.612 16.714 7.393 1.00 0.00 H new ATOM 0 HB2 ASN A 107 13.888 17.312 4.905 1.00 0.00 H new ATOM 0 HB3 ASN A 107 15.280 16.597 5.695 1.00 0.00 H new ATOM 0 HD21 ASN A 107 16.202 15.215 4.209 1.00 0.00 H new ATOM 0 HD22 ASN A 107 15.296 14.078 3.205 1.00 0.00 H new ATOM 1726 N ASP A 108 11.048 15.978 7.208 1.00 0.00 N ATOM 1727 CA ASP A 108 9.611 16.080 6.992 1.00 0.00 C ATOM 1728 C ASP A 108 9.214 15.358 5.706 1.00 0.00 C ATOM 1729 O ASP A 108 8.421 15.871 4.917 1.00 0.00 O ATOM 1730 CB ASP A 108 9.194 17.556 6.915 1.00 0.00 C ATOM 1731 CG ASP A 108 9.725 18.185 5.633 1.00 0.00 C ATOM 1732 OD1 ASP A 108 10.839 18.684 5.659 1.00 0.00 O ATOM 1733 OD2 ASP A 108 9.011 18.159 4.644 1.00 0.00 O ATOM 0 H ASP A 108 11.318 15.748 8.164 1.00 0.00 H new ATOM 0 HA ASP A 108 9.098 15.608 7.830 1.00 0.00 H new ATOM 0 HB2 ASP A 108 8.107 17.637 6.946 1.00 0.00 H new ATOM 0 HB3 ASP A 108 9.578 18.096 7.780 1.00 0.00 H new ATOM 1738 N THR A 109 9.770 14.163 5.504 1.00 0.00 N ATOM 1739 CA THR A 109 9.465 13.377 4.311 1.00 0.00 C ATOM 1740 C THR A 109 9.286 11.902 4.655 1.00 0.00 C ATOM 1741 O THR A 109 10.167 11.278 5.244 1.00 0.00 O ATOM 1742 CB THR A 109 10.588 13.520 3.275 1.00 0.00 C ATOM 1743 OG1 THR A 109 10.910 14.896 3.132 1.00 0.00 O ATOM 1744 CG2 THR A 109 10.108 12.977 1.931 1.00 0.00 C ATOM 0 H THR A 109 10.429 13.722 6.146 1.00 0.00 H new ATOM 0 HA THR A 109 8.532 13.758 3.895 1.00 0.00 H new ATOM 0 HB THR A 109 11.466 12.963 3.603 1.00 0.00 H new ATOM 0 HG1 THR A 109 11.606 15.138 3.778 1.00 0.00 H new ATOM 0 HG21 THR A 109 10.904 13.077 1.193 1.00 0.00 H new ATOM 0 HG22 THR A 109 9.842 11.925 2.037 1.00 0.00 H new ATOM 0 HG23 THR A 109 9.235 13.540 1.602 1.00 0.00 H new ATOM 1752 N LEU A 110 8.144 11.343 4.270 1.00 0.00 N ATOM 1753 CA LEU A 110 7.879 9.946 4.532 1.00 0.00 C ATOM 1754 C LEU A 110 8.702 9.068 3.598 1.00 0.00 C ATOM 1755 O LEU A 110 8.534 9.116 2.377 1.00 0.00 O ATOM 1756 CB LEU A 110 6.400 9.664 4.313 1.00 0.00 C ATOM 1757 CG LEU A 110 5.932 8.595 5.293 1.00 0.00 C ATOM 1758 CD1 LEU A 110 4.458 8.298 5.032 1.00 0.00 C ATOM 1759 CD2 LEU A 110 6.760 7.321 5.097 1.00 0.00 C ATOM 0 H LEU A 110 7.397 11.836 3.780 1.00 0.00 H new ATOM 0 HA LEU A 110 8.152 9.721 5.563 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.821 10.577 4.452 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.231 9.332 3.289 1.00 0.00 H new ATOM 0 HG LEU A 110 6.060 8.948 6.316 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.112 7.534 5.728 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.873 9.207 5.171 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.334 7.940 4.010 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.424 6.557 5.799 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.633 6.958 4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.813 7.540 5.276 1.00 0.00 H new ATOM 1771 N LEU A 111 9.586 8.268 4.184 1.00 0.00 N ATOM 1772 CA LEU A 111 10.430 7.368 3.409 1.00 0.00 C ATOM 1773 C LEU A 111 10.182 5.932 3.833 1.00 0.00 C ATOM 1774 O LEU A 111 10.344 5.585 5.005 1.00 0.00 O ATOM 1775 CB LEU A 111 11.890 7.714 3.617 1.00 0.00 C ATOM 1776 CG LEU A 111 12.180 8.963 2.803 1.00 0.00 C ATOM 1777 CD1 LEU A 111 13.208 9.819 3.493 1.00 0.00 C ATOM 1778 CD2 LEU A 111 12.722 8.562 1.452 1.00 0.00 C ATOM 0 H LEU A 111 9.736 8.225 5.192 1.00 0.00 H new ATOM 0 HA LEU A 111 10.184 7.479 2.353 1.00 0.00 H new ATOM 0 HB2 LEU A 111 12.097 7.887 4.673 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.529 6.891 3.298 1.00 0.00 H new ATOM 0 HG LEU A 111 11.254 9.528 2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 111 13.402 10.709 2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 111 12.836 10.116 4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 111 14.132 9.253 3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 111 12.932 9.456 0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 111 13.641 7.990 1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 111 11.985 7.950 0.932 1.00 0.00 H new ATOM 1790 N VAL A 112 9.784 5.103 2.880 1.00 0.00 N ATOM 1791 CA VAL A 112 9.504 3.696 3.163 1.00 0.00 C ATOM 1792 C VAL A 112 10.395 2.790 2.316 1.00 0.00 C ATOM 1793 O VAL A 112 10.829 3.185 1.240 1.00 0.00 O ATOM 1794 CB VAL A 112 8.026 3.389 2.878 1.00 0.00 C ATOM 1795 CG1 VAL A 112 7.637 3.841 1.466 1.00 0.00 C ATOM 1796 CG2 VAL A 112 7.785 1.884 3.032 1.00 0.00 C ATOM 0 H VAL A 112 9.647 5.375 1.906 1.00 0.00 H new ATOM 0 HA VAL A 112 9.715 3.505 4.215 1.00 0.00 H new ATOM 0 HB VAL A 112 7.408 3.936 3.590 1.00 0.00 H new ATOM 0 HG11 VAL A 112 6.586 3.613 1.288 1.00 0.00 H new ATOM 0 HG12 VAL A 112 7.797 4.915 1.371 1.00 0.00 H new ATOM 0 HG13 VAL A 112 8.251 3.317 0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 112 6.737 1.661 2.831 1.00 0.00 H new ATOM 0 HG22 VAL A 112 8.414 1.341 2.327 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.032 1.578 4.049 1.00 0.00 H new ATOM 1806 N ASN A 113 10.654 1.572 2.797 1.00 0.00 N ATOM 1807 CA ASN A 113 11.482 0.616 2.056 1.00 0.00 C ATOM 1808 C ASN A 113 12.548 1.330 1.230 1.00 0.00 C ATOM 1809 O ASN A 113 12.828 0.946 0.093 1.00 0.00 O ATOM 1810 CB ASN A 113 10.600 -0.216 1.126 1.00 0.00 C ATOM 1811 CG ASN A 113 11.154 -1.629 1.008 1.00 0.00 C ATOM 1812 OD1 ASN A 113 12.179 -1.845 0.361 1.00 0.00 O ATOM 1813 ND2 ASN A 113 10.534 -2.613 1.599 1.00 0.00 N ATOM 0 H ASN A 113 10.305 1.225 3.691 1.00 0.00 H new ATOM 0 HA ASN A 113 11.980 -0.030 2.779 1.00 0.00 H new ATOM 0 HB2 ASN A 113 9.580 -0.247 1.510 1.00 0.00 H new ATOM 0 HB3 ASN A 113 10.555 0.249 0.141 1.00 0.00 H new ATOM 0 HD21 ASN A 113 10.898 -3.563 1.525 1.00 0.00 H new ATOM 0 HD22 ASN A 113 9.685 -2.432 2.135 1.00 0.00 H new ATOM 1820 N GLU A 114 13.128 2.376 1.809 1.00 0.00 N ATOM 1821 CA GLU A 114 14.159 3.155 1.129 1.00 0.00 C ATOM 1822 C GLU A 114 13.619 3.772 -0.160 1.00 0.00 C ATOM 1823 O GLU A 114 14.154 3.536 -1.243 1.00 0.00 O ATOM 1824 CB GLU A 114 15.369 2.270 0.813 1.00 0.00 C ATOM 1825 CG GLU A 114 15.891 1.636 2.105 1.00 0.00 C ATOM 1826 CD GLU A 114 17.208 2.287 2.504 1.00 0.00 C ATOM 1827 OE1 GLU A 114 18.138 2.228 1.715 1.00 0.00 O ATOM 1828 OE2 GLU A 114 17.270 2.841 3.589 1.00 0.00 O ATOM 0 H GLU A 114 12.902 2.705 2.748 1.00 0.00 H new ATOM 0 HA GLU A 114 14.466 3.961 1.795 1.00 0.00 H new ATOM 0 HB2 GLU A 114 15.088 1.493 0.102 1.00 0.00 H new ATOM 0 HB3 GLU A 114 16.154 2.863 0.344 1.00 0.00 H new ATOM 0 HG2 GLU A 114 15.158 1.758 2.903 1.00 0.00 H new ATOM 0 HG3 GLU A 114 16.033 0.565 1.964 1.00 0.00 H new ATOM 1835 N LEU A 115 12.557 4.564 -0.037 1.00 0.00 N ATOM 1836 CA LEU A 115 11.957 5.212 -1.202 1.00 0.00 C ATOM 1837 C LEU A 115 11.078 6.379 -0.766 1.00 0.00 C ATOM 1838 O LEU A 115 10.417 6.318 0.272 1.00 0.00 O ATOM 1839 CB LEU A 115 11.143 4.182 -2.003 1.00 0.00 C ATOM 1840 CG LEU A 115 9.700 4.093 -1.462 1.00 0.00 C ATOM 1841 CD1 LEU A 115 8.791 5.158 -2.095 1.00 0.00 C ATOM 1842 CD2 LEU A 115 9.132 2.700 -1.745 1.00 0.00 C ATOM 0 H LEU A 115 12.097 4.772 0.849 1.00 0.00 H new ATOM 0 HA LEU A 115 12.747 5.607 -1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 115 11.126 4.463 -3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 115 11.621 3.205 -1.942 1.00 0.00 H new ATOM 0 HG LEU A 115 9.732 4.274 -0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 115 7.784 5.064 -1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.182 6.150 -1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.762 5.016 -3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 115 8.113 2.638 -1.363 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.128 2.520 -2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.750 1.948 -1.254 1.00 0.00 H new ATOM 1854 N LYS A 116 11.086 7.451 -1.544 1.00 0.00 N ATOM 1855 CA LYS A 116 10.293 8.623 -1.207 1.00 0.00 C ATOM 1856 C LYS A 116 8.843 8.424 -1.624 1.00 0.00 C ATOM 1857 O LYS A 116 8.563 8.109 -2.780 1.00 0.00 O ATOM 1858 CB LYS A 116 10.858 9.853 -1.912 1.00 0.00 C ATOM 1859 CG LYS A 116 10.719 11.057 -0.988 1.00 0.00 C ATOM 1860 CD LYS A 116 11.279 12.302 -1.667 1.00 0.00 C ATOM 1861 CE LYS A 116 12.748 12.495 -1.276 1.00 0.00 C ATOM 1862 NZ LYS A 116 13.270 13.740 -1.909 1.00 0.00 N ATOM 0 H LYS A 116 11.627 7.534 -2.405 1.00 0.00 H new ATOM 0 HA LYS A 116 10.335 8.769 -0.128 1.00 0.00 H new ATOM 0 HB2 LYS A 116 11.905 9.693 -2.168 1.00 0.00 H new ATOM 0 HB3 LYS A 116 10.325 10.031 -2.846 1.00 0.00 H new ATOM 0 HG2 LYS A 116 9.670 11.212 -0.734 1.00 0.00 H new ATOM 0 HG3 LYS A 116 11.249 10.872 -0.054 1.00 0.00 H new ATOM 0 HD2 LYS A 116 11.191 12.207 -2.749 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.698 13.177 -1.376 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.842 12.558 -0.192 1.00 0.00 H new ATOM 0 HE3 LYS A 116 13.337 11.636 -1.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 14.267 13.872 -1.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 13.194 13.662 -2.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 12.714 14.555 -1.581 1.00 0.00 H new ATOM 1876 N SER A 117 7.924 8.614 -0.682 1.00 0.00 N ATOM 1877 CA SER A 117 6.502 8.452 -0.984 1.00 0.00 C ATOM 1878 C SER A 117 5.976 9.655 -1.750 1.00 0.00 C ATOM 1879 O SER A 117 6.612 10.709 -1.786 1.00 0.00 O ATOM 1880 CB SER A 117 5.690 8.295 0.300 1.00 0.00 C ATOM 1881 OG SER A 117 5.705 9.519 1.020 1.00 0.00 O ATOM 0 H SER A 117 8.131 8.876 0.282 1.00 0.00 H new ATOM 0 HA SER A 117 6.396 7.555 -1.594 1.00 0.00 H new ATOM 0 HB2 SER A 117 4.664 8.013 0.063 1.00 0.00 H new ATOM 0 HB3 SER A 117 6.107 7.495 0.912 1.00 0.00 H new ATOM 0 HG SER A 117 4.874 9.608 1.531 1.00 0.00 H new ATOM 1887 N LYS A 118 4.807 9.500 -2.360 1.00 0.00 N ATOM 1888 CA LYS A 118 4.212 10.591 -3.114 1.00 0.00 C ATOM 1889 C LYS A 118 3.258 11.387 -2.233 1.00 0.00 C ATOM 1890 O LYS A 118 3.231 12.615 -2.287 1.00 0.00 O ATOM 1891 CB LYS A 118 3.444 10.048 -4.318 1.00 0.00 C ATOM 1892 CG LYS A 118 4.418 9.353 -5.276 1.00 0.00 C ATOM 1893 CD LYS A 118 4.490 10.095 -6.617 1.00 0.00 C ATOM 1894 CE LYS A 118 5.275 11.395 -6.445 1.00 0.00 C ATOM 1895 NZ LYS A 118 5.442 12.052 -7.773 1.00 0.00 N ATOM 0 H LYS A 118 4.260 8.639 -2.347 1.00 0.00 H new ATOM 0 HA LYS A 118 5.015 11.242 -3.459 1.00 0.00 H new ATOM 0 HB2 LYS A 118 2.679 9.345 -3.988 1.00 0.00 H new ATOM 0 HB3 LYS A 118 2.930 10.861 -4.831 1.00 0.00 H new ATOM 0 HG2 LYS A 118 5.410 9.311 -4.825 1.00 0.00 H new ATOM 0 HG3 LYS A 118 4.099 8.324 -5.442 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.970 9.466 -7.367 1.00 0.00 H new ATOM 0 HD3 LYS A 118 3.485 10.311 -6.978 1.00 0.00 H new ATOM 0 HE2 LYS A 118 4.750 12.062 -5.761 1.00 0.00 H new ATOM 0 HE3 LYS A 118 6.250 11.188 -6.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 5.976 12.937 -7.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 5.960 11.416 -8.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 4.507 12.262 -8.176 1.00 0.00 H new ATOM 1909 N GLU A 119 2.479 10.672 -1.423 1.00 0.00 N ATOM 1910 CA GLU A 119 1.517 11.322 -0.532 1.00 0.00 C ATOM 1911 C GLU A 119 0.807 10.297 0.349 1.00 0.00 C ATOM 1912 O GLU A 119 0.133 9.398 -0.152 1.00 0.00 O ATOM 1913 CB GLU A 119 0.460 12.077 -1.351 1.00 0.00 C ATOM 1914 CG GLU A 119 -0.393 12.940 -0.416 1.00 0.00 C ATOM 1915 CD GLU A 119 -0.174 14.417 -0.725 1.00 0.00 C ATOM 1916 OE1 GLU A 119 -1.121 15.062 -1.148 1.00 0.00 O ATOM 1917 OE2 GLU A 119 0.936 14.883 -0.530 1.00 0.00 O ATOM 0 H GLU A 119 2.493 9.654 -1.364 1.00 0.00 H new ATOM 0 HA GLU A 119 2.070 12.018 0.098 1.00 0.00 H new ATOM 0 HB2 GLU A 119 0.945 12.704 -2.100 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -0.172 11.370 -1.888 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -1.447 12.687 -0.535 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.131 12.734 0.622 1.00 0.00 H new ATOM 1924 N SER A 120 0.956 10.440 1.659 1.00 0.00 N ATOM 1925 CA SER A 120 0.318 9.525 2.595 1.00 0.00 C ATOM 1926 C SER A 120 -0.272 10.290 3.771 1.00 0.00 C ATOM 1927 O SER A 120 -0.246 11.519 3.794 1.00 0.00 O ATOM 1928 CB SER A 120 1.356 8.554 3.139 1.00 0.00 C ATOM 1929 OG SER A 120 2.075 9.205 4.174 1.00 0.00 O ATOM 0 H SER A 120 1.510 11.177 2.096 1.00 0.00 H new ATOM 0 HA SER A 120 -0.474 8.992 2.068 1.00 0.00 H new ATOM 0 HB2 SER A 120 0.872 7.655 3.520 1.00 0.00 H new ATOM 0 HB3 SER A 120 2.034 8.239 2.346 1.00 0.00 H new ATOM 0 HG SER A 120 1.838 8.807 5.037 1.00 0.00 H new ATOM 1935 N ASP A 121 -0.782 9.546 4.755 1.00 0.00 N ATOM 1936 CA ASP A 121 -1.353 10.158 5.956 1.00 0.00 C ATOM 1937 C ASP A 121 -2.794 10.572 5.715 1.00 0.00 C ATOM 1938 O ASP A 121 -3.458 11.107 6.603 1.00 0.00 O ATOM 1939 CB ASP A 121 -0.538 11.387 6.365 1.00 0.00 C ATOM 1940 CG ASP A 121 -0.549 11.549 7.880 1.00 0.00 C ATOM 1941 OD1 ASP A 121 -1.437 12.222 8.377 1.00 0.00 O ATOM 1942 OD2 ASP A 121 0.335 11.005 8.521 1.00 0.00 O ATOM 0 H ASP A 121 -0.811 8.526 4.744 1.00 0.00 H new ATOM 0 HA ASP A 121 -1.323 9.419 6.756 1.00 0.00 H new ATOM 0 HB2 ASP A 121 0.488 11.286 6.011 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -0.951 12.279 5.894 1.00 0.00 H new ATOM 1947 N ILE A 122 -3.262 10.325 4.505 1.00 0.00 N ATOM 1948 CA ILE A 122 -4.623 10.670 4.133 1.00 0.00 C ATOM 1949 C ILE A 122 -5.603 9.913 5.024 1.00 0.00 C ATOM 1950 O ILE A 122 -5.675 8.683 4.987 1.00 0.00 O ATOM 1951 CB ILE A 122 -4.882 10.311 2.665 1.00 0.00 C ATOM 1952 CG1 ILE A 122 -3.571 10.228 1.862 1.00 0.00 C ATOM 1953 CG2 ILE A 122 -5.801 11.326 2.007 1.00 0.00 C ATOM 1954 CD1 ILE A 122 -2.837 11.574 1.860 1.00 0.00 C ATOM 0 H ILE A 122 -2.719 9.886 3.762 1.00 0.00 H new ATOM 0 HA ILE A 122 -4.762 11.743 4.263 1.00 0.00 H new ATOM 0 HB ILE A 122 -5.361 9.332 2.662 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -2.927 9.460 2.290 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.788 9.927 0.837 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.967 11.046 0.967 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.755 11.348 2.534 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -5.341 12.313 2.048 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -1.915 11.485 1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -3.474 12.335 1.409 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -2.600 11.861 2.885 1.00 0.00 H new ATOM 1966 N MET A 123 -6.343 10.659 5.825 1.00 0.00 N ATOM 1967 CA MET A 123 -7.312 10.081 6.741 1.00 0.00 C ATOM 1968 C MET A 123 -8.417 9.364 5.987 1.00 0.00 C ATOM 1969 O MET A 123 -9.024 9.922 5.072 1.00 0.00 O ATOM 1970 CB MET A 123 -7.913 11.187 7.600 1.00 0.00 C ATOM 1971 CG MET A 123 -8.326 10.611 8.950 1.00 0.00 C ATOM 1972 SD MET A 123 -6.919 10.657 10.089 1.00 0.00 S ATOM 1973 CE MET A 123 -6.880 8.892 10.488 1.00 0.00 C ATOM 0 H MET A 123 -6.290 11.677 5.860 1.00 0.00 H new ATOM 0 HA MET A 123 -6.802 9.352 7.371 1.00 0.00 H new ATOM 0 HB2 MET A 123 -7.188 11.988 7.741 1.00 0.00 H new ATOM 0 HB3 MET A 123 -8.777 11.623 7.099 1.00 0.00 H new ATOM 0 HG2 MET A 123 -9.158 11.183 9.361 1.00 0.00 H new ATOM 0 HG3 MET A 123 -8.674 9.585 8.828 1.00 0.00 H new ATOM 0 HE1 MET A 123 -6.070 8.696 11.190 1.00 0.00 H new ATOM 0 HE2 MET A 123 -7.829 8.600 10.938 1.00 0.00 H new ATOM 0 HE3 MET A 123 -6.718 8.316 9.577 1.00 0.00 H new ATOM 1983 N THR A 124 -8.674 8.127 6.391 1.00 0.00 N ATOM 1984 CA THR A 124 -9.715 7.328 5.763 1.00 0.00 C ATOM 1985 C THR A 124 -10.655 6.754 6.817 1.00 0.00 C ATOM 1986 O THR A 124 -10.248 6.483 7.946 1.00 0.00 O ATOM 1987 CB THR A 124 -9.092 6.190 4.945 1.00 0.00 C ATOM 1988 OG1 THR A 124 -7.771 5.940 5.402 1.00 0.00 O ATOM 1989 CG2 THR A 124 -9.043 6.589 3.475 1.00 0.00 C ATOM 0 H THR A 124 -8.177 7.657 7.148 1.00 0.00 H new ATOM 0 HA THR A 124 -10.287 7.972 5.095 1.00 0.00 H new ATOM 0 HB THR A 124 -9.696 5.291 5.064 1.00 0.00 H new ATOM 0 HG1 THR A 124 -7.655 6.327 6.295 1.00 0.00 H new ATOM 0 HG21 THR A 124 -8.600 5.781 2.893 1.00 0.00 H new ATOM 0 HG22 THR A 124 -10.054 6.783 3.117 1.00 0.00 H new ATOM 0 HG23 THR A 124 -8.440 7.490 3.362 1.00 0.00 H new ATOM 1997 N THR A 125 -11.915 6.582 6.438 1.00 0.00 N ATOM 1998 CA THR A 125 -12.913 6.045 7.355 1.00 0.00 C ATOM 1999 C THR A 125 -12.607 4.591 7.687 1.00 0.00 C ATOM 2000 O THR A 125 -13.289 3.982 8.511 1.00 0.00 O ATOM 2001 CB THR A 125 -14.308 6.149 6.739 1.00 0.00 C ATOM 2002 OG1 THR A 125 -14.416 5.235 5.657 1.00 0.00 O ATOM 2003 CG2 THR A 125 -14.543 7.573 6.234 1.00 0.00 C ATOM 0 H THR A 125 -12.269 6.805 5.508 1.00 0.00 H new ATOM 0 HA THR A 125 -12.882 6.630 8.274 1.00 0.00 H new ATOM 0 HB THR A 125 -15.056 5.908 7.494 1.00 0.00 H new ATOM 0 HG1 THR A 125 -15.311 5.300 5.262 1.00 0.00 H new ATOM 0 HG21 THR A 125 -15.538 7.644 5.795 1.00 0.00 H new ATOM 0 HG22 THR A 125 -14.463 8.272 7.066 1.00 0.00 H new ATOM 0 HG23 THR A 125 -13.796 7.820 5.480 1.00 0.00 H new ATOM 2011 N ASN A 126 -11.576 4.042 7.045 1.00 0.00 N ATOM 2012 CA ASN A 126 -11.186 2.659 7.288 1.00 0.00 C ATOM 2013 C ASN A 126 -9.705 2.573 7.629 1.00 0.00 C ATOM 2014 O ASN A 126 -9.099 1.502 7.553 1.00 0.00 O ATOM 2015 CB ASN A 126 -11.496 1.786 6.075 1.00 0.00 C ATOM 2016 CG ASN A 126 -12.999 1.577 5.946 1.00 0.00 C ATOM 2017 OD1 ASN A 126 -13.775 2.140 6.717 1.00 0.00 O ATOM 2018 ND2 ASN A 126 -13.457 0.795 5.008 1.00 0.00 N ATOM 0 H ASN A 126 -11.002 4.531 6.359 1.00 0.00 H new ATOM 0 HA ASN A 126 -11.763 2.290 8.136 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -11.108 2.256 5.171 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -10.995 0.823 6.174 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -14.462 0.648 4.912 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -12.810 0.330 4.371 1.00 0.00 H new ATOM 2025 N GLY A 127 -9.121 3.703 8.012 1.00 0.00 N ATOM 2026 CA GLY A 127 -7.714 3.730 8.388 1.00 0.00 C ATOM 2027 C GLY A 127 -6.978 4.899 7.747 1.00 0.00 C ATOM 2028 O GLY A 127 -7.478 6.024 7.727 1.00 0.00 O ATOM 0 H GLY A 127 -9.595 4.604 8.070 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -7.629 3.798 9.473 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -7.240 2.795 8.089 1.00 0.00 H new ATOM 2032 N VAL A 128 -5.783 4.619 7.232 1.00 0.00 N ATOM 2033 CA VAL A 128 -4.970 5.647 6.591 1.00 0.00 C ATOM 2034 C VAL A 128 -4.498 5.165 5.232 1.00 0.00 C ATOM 2035 O VAL A 128 -4.234 3.972 5.039 1.00 0.00 O ATOM 2036 CB VAL A 128 -3.758 5.994 7.465 1.00 0.00 C ATOM 2037 CG1 VAL A 128 -2.548 5.139 7.070 1.00 0.00 C ATOM 2038 CG2 VAL A 128 -3.402 7.473 7.301 1.00 0.00 C ATOM 0 H VAL A 128 -5.358 3.692 7.246 1.00 0.00 H new ATOM 0 HA VAL A 128 -5.581 6.541 6.464 1.00 0.00 H new ATOM 0 HB VAL A 128 -4.016 5.791 8.504 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.698 5.399 7.700 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -2.789 4.084 7.202 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -2.296 5.325 6.026 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -2.541 7.711 7.925 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -3.161 7.676 6.257 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -4.250 8.087 7.604 1.00 0.00 H new ATOM 2048 N ILE A 129 -4.385 6.098 4.298 1.00 0.00 N ATOM 2049 CA ILE A 129 -3.940 5.762 2.955 1.00 0.00 C ATOM 2050 C ILE A 129 -2.482 6.162 2.755 1.00 0.00 C ATOM 2051 O ILE A 129 -1.983 7.108 3.384 1.00 0.00 O ATOM 2052 CB ILE A 129 -4.834 6.473 1.919 1.00 0.00 C ATOM 2053 CG1 ILE A 129 -5.979 5.548 1.503 1.00 0.00 C ATOM 2054 CG2 ILE A 129 -4.037 6.865 0.662 1.00 0.00 C ATOM 2055 CD1 ILE A 129 -7.005 6.345 0.685 1.00 0.00 C ATOM 0 H ILE A 129 -4.594 7.086 4.444 1.00 0.00 H new ATOM 0 HA ILE A 129 -4.019 4.683 2.819 1.00 0.00 H new ATOM 0 HB ILE A 129 -5.224 7.378 2.384 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -5.594 4.716 0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -6.454 5.120 2.385 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -4.698 7.364 -0.047 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -3.228 7.540 0.940 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -3.620 5.969 0.201 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -7.822 5.688 0.387 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -7.398 7.162 1.291 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -6.524 6.752 -0.204 1.00 0.00 H new ATOM 2067 N HIS A 130 -1.813 5.444 1.861 1.00 0.00 N ATOM 2068 CA HIS A 130 -0.422 5.734 1.553 1.00 0.00 C ATOM 2069 C HIS A 130 -0.154 5.553 0.066 1.00 0.00 C ATOM 2070 O HIS A 130 -0.215 4.443 -0.461 1.00 0.00 O ATOM 2071 CB HIS A 130 0.509 4.843 2.378 1.00 0.00 C ATOM 2072 CG HIS A 130 1.931 5.345 2.291 1.00 0.00 C ATOM 2073 ND1 HIS A 130 2.784 5.312 3.381 1.00 0.00 N ATOM 2074 CD2 HIS A 130 2.672 5.868 1.256 1.00 0.00 C ATOM 2075 CE1 HIS A 130 3.975 5.792 2.983 1.00 0.00 C ATOM 2076 NE2 HIS A 130 3.961 6.144 1.697 1.00 0.00 N ATOM 0 H HIS A 130 -2.210 4.662 1.340 1.00 0.00 H new ATOM 0 HA HIS A 130 -0.223 6.773 1.814 1.00 0.00 H new ATOM 0 HB2 HIS A 130 0.184 4.831 3.418 1.00 0.00 H new ATOM 0 HB3 HIS A 130 0.456 3.816 2.015 1.00 0.00 H new ATOM 0 HD1 HIS A 130 2.551 4.983 4.318 1.00 0.00 H new ATOM 0 HD2 HIS A 130 2.308 6.038 0.254 1.00 0.00 H new ATOM 0 HE1 HIS A 130 4.838 5.882 3.626 1.00 0.00 H new ATOM 2085 N VAL A 131 0.159 6.666 -0.597 1.00 0.00 N ATOM 2086 CA VAL A 131 0.458 6.649 -2.026 1.00 0.00 C ATOM 2087 C VAL A 131 1.960 6.680 -2.255 1.00 0.00 C ATOM 2088 O VAL A 131 2.639 7.647 -1.888 1.00 0.00 O ATOM 2089 CB VAL A 131 -0.179 7.851 -2.727 1.00 0.00 C ATOM 2090 CG1 VAL A 131 -0.021 7.693 -4.241 1.00 0.00 C ATOM 2091 CG2 VAL A 131 -1.663 7.922 -2.380 1.00 0.00 C ATOM 0 H VAL A 131 0.212 7.589 -0.167 1.00 0.00 H new ATOM 0 HA VAL A 131 0.045 5.730 -2.442 1.00 0.00 H new ATOM 0 HB VAL A 131 0.313 8.766 -2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -0.473 8.547 -4.745 1.00 0.00 H new ATOM 0 HG12 VAL A 131 1.038 7.642 -4.493 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -0.515 6.777 -4.565 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -2.113 8.779 -2.881 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -2.158 7.008 -2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -1.780 8.029 -1.302 1.00 0.00 H new ATOM 2101 N VAL A 132 2.468 5.617 -2.869 1.00 0.00 N ATOM 2102 CA VAL A 132 3.901 5.522 -3.154 1.00 0.00 C ATOM 2103 C VAL A 132 4.153 5.380 -4.655 1.00 0.00 C ATOM 2104 O VAL A 132 3.216 5.288 -5.447 1.00 0.00 O ATOM 2105 CB VAL A 132 4.501 4.321 -2.418 1.00 0.00 C ATOM 2106 CG1 VAL A 132 4.329 4.497 -0.907 1.00 0.00 C ATOM 2107 CG2 VAL A 132 3.785 3.048 -2.860 1.00 0.00 C ATOM 0 H VAL A 132 1.918 4.815 -3.177 1.00 0.00 H new ATOM 0 HA VAL A 132 4.377 6.439 -2.808 1.00 0.00 H new ATOM 0 HB VAL A 132 5.563 4.250 -2.654 1.00 0.00 H new ATOM 0 HG11 VAL A 132 4.758 3.639 -0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 132 4.838 5.406 -0.586 1.00 0.00 H new ATOM 0 HG13 VAL A 132 3.268 4.572 -0.668 1.00 0.00 H new ATOM 0 HG21 VAL A 132 4.210 2.191 -2.337 1.00 0.00 H new ATOM 0 HG22 VAL A 132 2.724 3.127 -2.624 1.00 0.00 H new ATOM 0 HG23 VAL A 132 3.909 2.915 -3.935 1.00 0.00 H new ATOM 2117 N ASP A 133 5.428 5.366 -5.036 1.00 0.00 N ATOM 2118 CA ASP A 133 5.801 5.237 -6.444 1.00 0.00 C ATOM 2119 C ASP A 133 6.740 4.057 -6.643 1.00 0.00 C ATOM 2120 O ASP A 133 7.698 4.134 -7.411 1.00 0.00 O ATOM 2121 CB ASP A 133 6.479 6.516 -6.931 1.00 0.00 C ATOM 2122 CG ASP A 133 7.558 6.951 -5.943 1.00 0.00 C ATOM 2123 OD1 ASP A 133 8.305 6.097 -5.496 1.00 0.00 O ATOM 2124 OD2 ASP A 133 7.619 8.134 -5.649 1.00 0.00 O ATOM 0 H ASP A 133 6.217 5.442 -4.394 1.00 0.00 H new ATOM 0 HA ASP A 133 4.893 5.068 -7.022 1.00 0.00 H new ATOM 0 HB2 ASP A 133 6.921 6.350 -7.913 1.00 0.00 H new ATOM 0 HB3 ASP A 133 5.739 7.308 -7.044 1.00 0.00 H new ATOM 2129 N LYS A 134 6.460 2.966 -5.951 1.00 0.00 N ATOM 2130 CA LYS A 134 7.291 1.778 -6.065 1.00 0.00 C ATOM 2131 C LYS A 134 6.556 0.563 -5.505 1.00 0.00 C ATOM 2132 O LYS A 134 5.885 0.649 -4.477 1.00 0.00 O ATOM 2133 CB LYS A 134 8.590 1.977 -5.280 1.00 0.00 C ATOM 2134 CG LYS A 134 9.828 1.613 -6.120 1.00 0.00 C ATOM 2135 CD LYS A 134 9.993 0.091 -6.156 1.00 0.00 C ATOM 2136 CE LYS A 134 10.787 -0.368 -4.931 1.00 0.00 C ATOM 2137 NZ LYS A 134 12.239 -0.360 -5.266 1.00 0.00 N ATOM 0 H LYS A 134 5.672 2.877 -5.310 1.00 0.00 H new ATOM 0 HA LYS A 134 7.516 1.612 -7.119 1.00 0.00 H new ATOM 0 HB2 LYS A 134 8.663 3.015 -4.956 1.00 0.00 H new ATOM 0 HB3 LYS A 134 8.568 1.363 -4.380 1.00 0.00 H new ATOM 0 HG2 LYS A 134 9.720 2.002 -7.133 1.00 0.00 H new ATOM 0 HG3 LYS A 134 10.718 2.076 -5.694 1.00 0.00 H new ATOM 0 HD2 LYS A 134 9.015 -0.391 -6.170 1.00 0.00 H new ATOM 0 HD3 LYS A 134 10.508 -0.208 -7.069 1.00 0.00 H new ATOM 0 HE2 LYS A 134 10.591 0.292 -4.086 1.00 0.00 H new ATOM 0 HE3 LYS A 134 10.475 -1.369 -4.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 12.788 -0.671 -4.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 12.415 -1.006 -6.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 12.529 0.603 -5.532 1.00 0.00 H new ATOM 2151 N LEU A 135 6.701 -0.569 -6.180 1.00 0.00 N ATOM 2152 CA LEU A 135 6.062 -1.801 -5.738 1.00 0.00 C ATOM 2153 C LEU A 135 6.940 -2.529 -4.723 1.00 0.00 C ATOM 2154 O LEU A 135 8.107 -2.820 -4.986 1.00 0.00 O ATOM 2155 CB LEU A 135 5.807 -2.713 -6.942 1.00 0.00 C ATOM 2156 CG LEU A 135 5.001 -3.945 -6.508 1.00 0.00 C ATOM 2157 CD1 LEU A 135 3.615 -3.524 -6.011 1.00 0.00 C ATOM 2158 CD2 LEU A 135 4.842 -4.889 -7.701 1.00 0.00 C ATOM 0 H LEU A 135 7.253 -0.660 -7.033 1.00 0.00 H new ATOM 0 HA LEU A 135 5.114 -1.548 -5.263 1.00 0.00 H new ATOM 0 HB2 LEU A 135 5.264 -2.167 -7.713 1.00 0.00 H new ATOM 0 HB3 LEU A 135 6.755 -3.025 -7.380 1.00 0.00 H new ATOM 0 HG LEU A 135 5.531 -4.449 -5.700 1.00 0.00 H new ATOM 0 HD11 LEU A 135 3.054 -4.407 -5.706 1.00 0.00 H new ATOM 0 HD12 LEU A 135 3.722 -2.851 -5.160 1.00 0.00 H new ATOM 0 HD13 LEU A 135 3.081 -3.013 -6.812 1.00 0.00 H new ATOM 0 HD21 LEU A 135 4.270 -5.766 -7.397 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.317 -4.374 -8.505 1.00 0.00 H new ATOM 0 HD23 LEU A 135 5.826 -5.201 -8.052 1.00 0.00 H new ATOM 2170 N LEU A 136 6.362 -2.827 -3.565 1.00 0.00 N ATOM 2171 CA LEU A 136 7.091 -3.530 -2.517 1.00 0.00 C ATOM 2172 C LEU A 136 6.893 -5.032 -2.657 1.00 0.00 C ATOM 2173 O LEU A 136 5.821 -5.491 -3.049 1.00 0.00 O ATOM 2174 CB LEU A 136 6.602 -3.079 -1.137 1.00 0.00 C ATOM 2175 CG LEU A 136 6.524 -1.551 -1.091 1.00 0.00 C ATOM 2176 CD1 LEU A 136 6.246 -1.095 0.341 1.00 0.00 C ATOM 2177 CD2 LEU A 136 7.848 -0.954 -1.569 1.00 0.00 C ATOM 0 H LEU A 136 5.397 -2.595 -3.329 1.00 0.00 H new ATOM 0 HA LEU A 136 8.151 -3.295 -2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 136 5.622 -3.509 -0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 136 7.280 -3.442 -0.364 1.00 0.00 H new ATOM 0 HG LEU A 136 5.718 -1.212 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 136 6.191 -0.007 0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 136 5.299 -1.516 0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 136 7.049 -1.436 0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 136 7.790 0.134 -1.535 1.00 0.00 H new ATOM 0 HD22 LEU A 136 8.656 -1.294 -0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 136 8.044 -1.275 -2.592 1.00 0.00 H new